---
_id: '17862'
abstract:
- lang: eng
text: Electric field acceleration of alkyl hydroperoxide activation to acylate amines
in the scanning tunneling microscope-based break-junction is reported. Alkyl hydroperoxide
mixtures, generated from hydrocarbon autoxidation in air, were found to be competent
reagents for the functionalization of gold surfaces. Intermolecular coupling on
the surface in the presence of amines was observed, yielding normal alkylamides.
This novel mode of alkyl hydroperoxide activation to generate acylium equivalents
was found to be responsive to the magnitude of the bias in the break junction,
indicating an electric field influence on this novel reactivity.
article_processing_charge: No
article_type: original
author:
- first_name: Xiye
full_name: Wang, Xiye
last_name: Wang
- first_name: Boyuan
full_name: Zhang, Boyuan
last_name: Zhang
- first_name: Brandon
full_name: Fowler, Brandon
last_name: Fowler
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Tomislav
full_name: Rovis, Tomislav
last_name: Rovis
citation:
ama: Wang X, Zhang B, Fowler B, Venkataraman L, Rovis T. Alkane solvent-derived
acylation reaction driven by electric fields. Journal of the American Chemical
Society. 2023;145(22):11903-11906. doi:10.1021/jacs.3c02064
apa: Wang, X., Zhang, B., Fowler, B., Venkataraman, L., & Rovis, T. (2023).
Alkane solvent-derived acylation reaction driven by electric fields. Journal
of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.3c02064
chicago: Wang, Xiye, Boyuan Zhang, Brandon Fowler, Latha Venkataraman, and Tomislav
Rovis. “Alkane Solvent-Derived Acylation Reaction Driven by Electric Fields.”
Journal of the American Chemical Society. American Chemical Society, 2023.
https://doi.org/10.1021/jacs.3c02064.
ieee: X. Wang, B. Zhang, B. Fowler, L. Venkataraman, and T. Rovis, “Alkane solvent-derived
acylation reaction driven by electric fields,” Journal of the American Chemical
Society, vol. 145, no. 22. American Chemical Society, pp. 11903–11906, 2023.
ista: Wang X, Zhang B, Fowler B, Venkataraman L, Rovis T. 2023. Alkane solvent-derived
acylation reaction driven by electric fields. Journal of the American Chemical
Society. 145(22), 11903–11906.
mla: Wang, Xiye, et al. “Alkane Solvent-Derived Acylation Reaction Driven by Electric
Fields.” Journal of the American Chemical Society, vol. 145, no. 22, American
Chemical Society, 2023, pp. 11903–06, doi:10.1021/jacs.3c02064.
short: X. Wang, B. Zhang, B. Fowler, L. Venkataraman, T. Rovis, Journal of the American
Chemical Society 145 (2023) 11903–11906.
date_created: 2024-09-06T12:55:12Z
date_published: 2023-05-25T00:00:00Z
date_updated: 2024-11-25T12:29:49Z
day: '25'
doi: 10.1021/jacs.3c02064
extern: '1'
external_id:
pmid:
- '37227235'
intvolume: ' 145'
issue: '22'
language:
- iso: eng
month: '05'
oa_version: None
page: 11903-11906
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Alkane solvent-derived acylation reaction driven by electric fields
type: journal_article
user_id: 68b8ca59-c5b3-11ee-8790-cd641c68093d
volume: 145
year: '2023'
...
---
OA_type: closed access
_id: '17864'
abstract:
- lang: eng
text: 'Molecular one-dimensional topological insulators (1D TIs), which conduct
through energetically low-lying topological edge states, can be extremely highly
conducting and exhibit a reversed conductance decay, affording them great potential
as building blocks for nanoelectronic devices. However, these properties can only
be observed at the short length limit. To extend the length at which these anomalous
effects can be observed, we design topological oligo[n]emeraldine wires using
short 1D TIs as building blocks. As the wire length increases, the number of topological
states increases, enabling an increased electronic transmission along the wire;
specifically, we show that we can drive over a microampere current through a single
∼5 nm molecular wire, appreciably more than what has been observed in other long
wires reported to date. Calculations and experiments show that the longest oligo[7]emeraldine
with doped topological states has over 106 enhancements in the transmission compared
to its pristine form. The discovery of these highly conductive, long organic wires
helps overcome a fundamental hurdle to implementing molecules in complex, nanoscale
circuitry: their structures become too insulating at lengths that are useful in
designing nanoscale circuits.'
article_processing_charge: No
author:
- first_name: Liang
full_name: Li, Liang
last_name: Li
- first_name: Shayan
full_name: Louie, Shayan
last_name: Louie
- first_name: Austin M.
full_name: Evans, Austin M.
last_name: Evans
- first_name: Elena
full_name: Meirzadeh, Elena
last_name: Meirzadeh
- first_name: Colin
full_name: Nuckolls, Colin
last_name: Nuckolls
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Li L, Louie S, Evans AM, Meirzadeh E, Nuckolls C, Venkataraman L. Topological
radical pairs produce ultrahigh conductance in long molecular wires. Journal
of the American Chemical Society. 2023;145(4):2492-2498. doi:10.1021/jacs.2c12059
apa: Li, L., Louie, S., Evans, A. M., Meirzadeh, E., Nuckolls, C., & Venkataraman,
L. (2023). Topological radical pairs produce ultrahigh conductance in long molecular
wires. Journal of the American Chemical Society. American Chemical Society.
https://doi.org/10.1021/jacs.2c12059
chicago: Li, Liang, Shayan Louie, Austin M. Evans, Elena Meirzadeh, Colin Nuckolls,
and Latha Venkataraman. “Topological Radical Pairs Produce Ultrahigh Conductance
in Long Molecular Wires.” Journal of the American Chemical Society. American
Chemical Society, 2023. https://doi.org/10.1021/jacs.2c12059.
ieee: L. Li, S. Louie, A. M. Evans, E. Meirzadeh, C. Nuckolls, and L. Venkataraman,
“Topological radical pairs produce ultrahigh conductance in long molecular wires,”
Journal of the American Chemical Society, vol. 145, no. 4. American Chemical
Society, pp. 2492–2498, 2023.
ista: Li L, Louie S, Evans AM, Meirzadeh E, Nuckolls C, Venkataraman L. 2023. Topological
radical pairs produce ultrahigh conductance in long molecular wires. Journal of
the American Chemical Society. 145(4), 2492–2498.
mla: Li, Liang, et al. “Topological Radical Pairs Produce Ultrahigh Conductance
in Long Molecular Wires.” Journal of the American Chemical Society, vol.
145, no. 4, American Chemical Society, 2023, pp. 2492–98, doi:10.1021/jacs.2c12059.
short: L. Li, S. Louie, A.M. Evans, E. Meirzadeh, C. Nuckolls, L. Venkataraman,
Journal of the American Chemical Society 145 (2023) 2492–2498.
date_created: 2024-09-06T12:57:45Z
date_published: 2023-01-23T00:00:00Z
date_updated: 2024-11-25T14:21:10Z
day: '23'
doi: 10.1021/jacs.2c12059
extern: '1'
external_id:
pmid:
- '36689781'
intvolume: ' 145'
issue: '4'
language:
- iso: eng
month: '01'
oa_version: None
page: 2492-2498
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Topological radical pairs produce ultrahigh conductance in long molecular wires
type: journal_article
user_id: 68b8ca59-c5b3-11ee-8790-cd641c68093d
volume: 145
year: '2023'
...
---
_id: '13216'
abstract:
- lang: eng
text: Physical catalysts often have multiple sites where reactions can take place.
One prominent example is single-atom alloys, where the reactive dopant atoms can
preferentially locate in the bulk or at different sites on the surface of the
nanoparticle. However, ab initio modeling of catalysts usually only considers
one site of the catalyst, neglecting the effects of multiple sites. Here, nanoparticles
of copper doped with single-atom rhodium or palladium are modeled for the dehydrogenation
of propane. Single-atom alloy nanoparticles are simulated at 400–600 K, using
machine learning potentials trained on density functional theory calculations,
and then the occupation of different single-atom active sites is identified using
a similarity kernel. Further, the turnover frequency for all possible sites is
calculated for propane dehydrogenation to propene through microkinetic modeling
using density functional theory calculations. The total turnover frequencies of
the whole nanoparticle are then described from both the population and the individual
turnover frequency of each site. Under operating conditions, rhodium as a dopant
is found to almost exclusively occupy (111) surface sites while palladium as a
dopant occupies a greater variety of facets. Undercoordinated dopant surface sites
are found to tend to be more reactive for propane dehydrogenation compared to
the (111) surface. It is found that considering the dynamics of the single-atom
alloy nanoparticle has a profound effect on the calculated catalytic activity
of single-atom alloys by several orders of magnitude.
acknowledgement: "B.C. acknowledges resources provided by the Cambridge Tier2 system
operated by the University of Cambridge Research\r\nComputing Service funded by
EPSRC Tier-2 capital grant EP/\r\nP020259/1."
article_processing_charge: Yes (via OA deal)
article_type: original
author:
- first_name: Rhys
full_name: Bunting, Rhys
id: 91deeae8-1207-11ec-b130-c194ad5b50c6
last_name: Bunting
orcid: 0000-0001-6928-074X
- first_name: Felix
full_name: Wodaczek, Felix
id: 8b4b6a9f-32b0-11ee-9fa8-bbe85e26258e
last_name: Wodaczek
orcid: 0009-0000-1457-795X
- first_name: Tina
full_name: Torabi, Tina
last_name: Torabi
- first_name: Bingqing
full_name: Cheng, Bingqing
id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
last_name: Cheng
orcid: 0000-0002-3584-9632
citation:
ama: 'Bunting R, Wodaczek F, Torabi T, Cheng B. Reactivity of single-atom alloy
nanoparticles: Modeling the dehydrogenation of propane. Journal of the American
Chemical Society. 2023;145(27):14894-14902. doi:10.1021/jacs.3c04030'
apa: 'Bunting, R., Wodaczek, F., Torabi, T., & Cheng, B. (2023). Reactivity
of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal
of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.3c04030'
chicago: 'Bunting, Rhys, Felix Wodaczek, Tina Torabi, and Bingqing Cheng. “Reactivity
of Single-Atom Alloy Nanoparticles: Modeling the Dehydrogenation of Propane.”
Journal of the American Chemical Society. American Chemical Society, 2023.
https://doi.org/10.1021/jacs.3c04030.'
ieee: 'R. Bunting, F. Wodaczek, T. Torabi, and B. Cheng, “Reactivity of single-atom
alloy nanoparticles: Modeling the dehydrogenation of propane,” Journal of the
American Chemical Society, vol. 145, no. 27. American Chemical Society, pp.
14894–14902, 2023.'
ista: 'Bunting R, Wodaczek F, Torabi T, Cheng B. 2023. Reactivity of single-atom
alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American
Chemical Society. 145(27), 14894–14902.'
mla: 'Bunting, Rhys, et al. “Reactivity of Single-Atom Alloy Nanoparticles: Modeling
the Dehydrogenation of Propane.” Journal of the American Chemical Society,
vol. 145, no. 27, American Chemical Society, 2023, pp. 14894–902, doi:10.1021/jacs.3c04030.'
short: R. Bunting, F. Wodaczek, T. Torabi, B. Cheng, Journal of the American Chemical
Society 145 (2023) 14894–14902.
corr_author: '1'
das_tickbox: '0'
date_created: 2023-07-12T09:16:40Z
date_published: 2023-06-30T00:00:00Z
date_updated: 2026-08-07T11:37:26Z
day: '30'
ddc:
- '540'
department:
- _id: MaIb
- _id: BiCh
doi: 10.1021/jacs.3c04030
external_id:
isi:
- '001020623900001'
pmid:
- '37390457'
file:
- access_level: open_access
checksum: e07d5323f9c0e5cbd1ad6453f29440ab
content_type: application/pdf
creator: cchlebak
date_created: 2023-07-12T10:22:04Z
date_updated: 2023-07-12T10:22:04Z
file_id: '13219'
file_name: 2023_JACS_Bunting.pdf
file_size: 3155843
relation: main_file
success: 1
file_date_updated: 2023-07-12T10:22:04Z
has_accepted_license: '1'
intvolume: ' 145'
isi: 1
issue: '27'
keyword:
- Colloid and Surface Chemistry
- Biochemistry
- General Chemistry
- Catalysis
language:
- iso: eng
month: '06'
oa: 1
oa_version: Published Version
page: 14894-14902
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
researchdata_availability: no
scopus_import: '1'
status: public
supplementarymaterial: yes
title: 'Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation
of propane'
tmp:
image: /images/cc_by.png
legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
short: CC BY (4.0)
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 145
year: '2023'
...
---
_id: '13348'
abstract:
- lang: eng
text: Molecular confinement effects can profoundly alter the physicochemical properties
of the confined species. A plethora of organic molecules were encapsulated within
the cavities of supramolecular hosts, and the impact of the cavity size and polarity
was widely investigated. However, the extent to which the properties of the confined
guests can be affected by the symmetry of the cage─which dictates the shape of
the cavity─remains to be understood. Here we show that cage symmetry has a dramatic
effect on the equilibrium between two isomers of the encapsulated spiropyran guests.
Working with two Pd-based coordination cages featuring similarly sized but differently
shaped hydrophobic cavities, we found a highly selective stabilization of the
isomer whose shape matches that of the cavity of the cage. A Td-symmetric cage
stabilized the spiropyrans’ colorless form and rendered them photochemically inert.
In contrast, a D2h-symmetric cage favored the colored isomer, while maintaining
reversible photoswitching between the two states of the encapsulated spiropyrans.
We also show that the switching kinetics strongly depend on the substitution pattern
on the spiropyran scaffold. This finding was used to fabricate a time-sensitive
information storage medium with tunable lifetimes of the encoded messages.
article_processing_charge: No
article_type: original
author:
- first_name: Jinhua
full_name: Wang, Jinhua
last_name: Wang
- first_name: Liat
full_name: Avram, Liat
last_name: Avram
- first_name: Yael
full_name: Diskin-Posner, Yael
last_name: Diskin-Posner
- first_name: Michał J.
full_name: Białek, Michał J.
last_name: Białek
- first_name: Wojciech
full_name: Stawski, Wojciech
last_name: Stawski
- first_name: Moran
full_name: Feller, Moran
last_name: Feller
- first_name: Rafal
full_name: Klajn, Rafal
id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b
last_name: Klajn
citation:
ama: Wang J, Avram L, Diskin-Posner Y, et al. Altering the properties of spiropyran
switches using coordination cages with different symmetries. Journal of the
American Chemical Society. 2022;144(46):21244-21254. doi:10.1021/jacs.2c08901
apa: Wang, J., Avram, L., Diskin-Posner, Y., Białek, M. J., Stawski, W., Feller,
M., & Klajn, R. (2022). Altering the properties of spiropyran switches using
coordination cages with different symmetries. Journal of the American Chemical
Society. American Chemical Society. https://doi.org/10.1021/jacs.2c08901
chicago: Wang, Jinhua, Liat Avram, Yael Diskin-Posner, Michał J. Białek, Wojciech
Stawski, Moran Feller, and Rafal Klajn. “Altering the Properties of Spiropyran
Switches Using Coordination Cages with Different Symmetries.” Journal of the
American Chemical Society. American Chemical Society, 2022. https://doi.org/10.1021/jacs.2c08901.
ieee: J. Wang et al., “Altering the properties of spiropyran switches using
coordination cages with different symmetries,” Journal of the American Chemical
Society, vol. 144, no. 46. American Chemical Society, pp. 21244–21254, 2022.
ista: Wang J, Avram L, Diskin-Posner Y, Białek MJ, Stawski W, Feller M, Klajn R.
2022. Altering the properties of spiropyran switches using coordination cages
with different symmetries. Journal of the American Chemical Society. 144(46),
21244–21254.
mla: Wang, Jinhua, et al. “Altering the Properties of Spiropyran Switches Using
Coordination Cages with Different Symmetries.” Journal of the American Chemical
Society, vol. 144, no. 46, American Chemical Society, 2022, pp. 21244–54,
doi:10.1021/jacs.2c08901.
short: J. Wang, L. Avram, Y. Diskin-Posner, M.J. Białek, W. Stawski, M. Feller,
R. Klajn, Journal of the American Chemical Society 144 (2022) 21244–21254.
date_created: 2023-08-01T09:31:01Z
date_published: 2022-11-15T00:00:00Z
date_updated: 2024-10-14T12:08:54Z
day: '15'
doi: 10.1021/jacs.2c08901
extern: '1'
intvolume: ' 144'
issue: '46'
keyword:
- Colloid and Surface Chemistry
- Biochemistry
- General Chemistry
- Catalysis
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1021/jacs.2c08901
month: '11'
oa: 1
oa_version: Published Version
page: 21244-21254
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Altering the properties of spiropyran switches using coordination cages with
different symmetries
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 144
year: '2022'
...
---
_id: '11978'
abstract:
- lang: eng
text: Dual photocatalysis and nickel catalysis can effect cross-coupling under mild
conditions, but little is known about the in situ kinetics of this class of reactions.
We report a comprehensive kinetic examination of a model carboxylate O-arylation,
comparing a state-of-the-art homogeneous photocatalyst (Ir(ppy)3) with a competitive
heterogeneous photocatalyst (graphitic carbon nitride). Experimental conditions
were adjusted such that the nickel catalytic cycle is saturated with excited photocatalyst.
This approach was designed to remove the role of the photocatalyst, by which only
the intrinsic behaviors of the nickel catalytic cycles are observed. The two reactions
did not display identical kinetics. Ir(ppy)3 deactivates the nickel catalytic
cycle and creates more dehalogenated side product. Kinetic data for the reaction
using Ir(ppy)3 supports a turnover-limiting reductive elimination. Graphitic carbon
nitride gave higher selectivity, even at high photocatalyst-to-nickel ratios.
The heterogeneous reaction also showed a rate dependence on aryl halide, indicating
that oxidative addition plays a role in rate determination. The results argue
against the current mechanistic hypothesis, which states that the photocatalyst
is only involved to trigger reductive elimination.
article_processing_charge: No
article_type: original
author:
- first_name: Jamal A.
full_name: Malik, Jamal A.
last_name: Malik
- first_name: Amiera
full_name: Madani, Amiera
last_name: Madani
- first_name: Bartholomäus
full_name: Pieber, Bartholomäus
id: 93e5e5b2-0da6-11ed-8a41-af589a024726
last_name: Pieber
orcid: 0000-0001-8689-388X
- first_name: Peter H.
full_name: Seeberger, Peter H.
last_name: Seeberger
citation:
ama: Malik JA, Madani A, Pieber B, Seeberger PH. Evidence for photocatalyst involvement
in oxidative additions of nickel-catalyzed carboxylate O-arylations. Journal
of the American Chemical Society. 2020;142(25):11042-11049. doi:10.1021/jacs.0c02848
apa: Malik, J. A., Madani, A., Pieber, B., & Seeberger, P. H. (2020). Evidence
for photocatalyst involvement in oxidative additions of nickel-catalyzed carboxylate
O-arylations. Journal of the American Chemical Society. American Chemical
Society. https://doi.org/10.1021/jacs.0c02848
chicago: Malik, Jamal A., Amiera Madani, Bartholomäus Pieber, and Peter H. Seeberger.
“Evidence for Photocatalyst Involvement in Oxidative Additions of Nickel-Catalyzed
Carboxylate O-Arylations.” Journal of the American Chemical Society. American
Chemical Society, 2020. https://doi.org/10.1021/jacs.0c02848.
ieee: J. A. Malik, A. Madani, B. Pieber, and P. H. Seeberger, “Evidence for photocatalyst
involvement in oxidative additions of nickel-catalyzed carboxylate O-arylations,”
Journal of the American Chemical Society, vol. 142, no. 25. American Chemical
Society, pp. 11042–11049, 2020.
ista: Malik JA, Madani A, Pieber B, Seeberger PH. 2020. Evidence for photocatalyst
involvement in oxidative additions of nickel-catalyzed carboxylate O-arylations.
Journal of the American Chemical Society. 142(25), 11042–11049.
mla: Malik, Jamal A., et al. “Evidence for Photocatalyst Involvement in Oxidative
Additions of Nickel-Catalyzed Carboxylate O-Arylations.” Journal of the American
Chemical Society, vol. 142, no. 25, American Chemical Society, 2020, pp. 11042–49,
doi:10.1021/jacs.0c02848.
short: J.A. Malik, A. Madani, B. Pieber, P.H. Seeberger, Journal of the American
Chemical Society 142 (2020) 11042–11049.
date_created: 2022-08-25T10:57:38Z
date_published: 2020-06-24T00:00:00Z
date_updated: 2024-10-14T12:06:34Z
day: '24'
doi: 10.1021/jacs.0c02848
extern: '1'
external_id:
pmid:
- '32469219'
intvolume: ' 142'
issue: '25'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1021/jacs.0c02848
month: '06'
oa: 1
oa_version: Published Version
page: 11042-11049
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Evidence for photocatalyst involvement in oxidative additions of nickel-catalyzed
carboxylate O-arylations
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 142
year: '2020'
...
---
_id: '13362'
abstract:
- lang: eng
text: Aggregation of organic molecules can drastically affect their physicochemical
properties. For instance, the optical properties of BODIPY dyes are inherently
related to the degree of aggregation and the mutual orientation of BODIPY units
within these aggregates. Whereas the noncovalent aggregation of various BODIPY
dyes has been studied in diverse media, the ill-defined nature of these aggregates
has made it difficult to elucidate the structure–property relationships. Here,
we studied the encapsulation of three structurally simple BODIPY derivatives within
the hydrophobic cavity of a water-soluble, flexible PdII6L4 coordination cage.
The cavity size allowed for the selective encapsulation of two dye molecules,
irrespective of the substitution pattern on the BODIPY core. Working with a model,
a pentamethyl-substituted derivative, we found that the mutual orientation of
two BODIPY units in the cage’s cavity was remarkably similar to that in the crystalline
state of the free dye, allowing us to isolate and characterize the smallest possible
noncovalent H-type BODIPY aggregate, namely, an H-dimer. Interestingly, a CF3-substituted
BODIPY, known for forming J-type aggregates, was also encapsulated as an H-dimer.
Taking advantage of the dynamic nature of encapsulation, we developed a system
in which reversible switching between H- and J-aggregates can be induced for multiple
cycles simply by addition and subsequent destruction of the cage. We expect that
the ability to rapidly and reversibly manipulate the optical properties of supramolecular
inclusion complexes in aqueous media will open up avenues for developing detection
systems that operate within biological environments.
article_processing_charge: No
article_type: original
author:
- first_name: Julius
full_name: Gemen, Julius
last_name: Gemen
- first_name: Johannes
full_name: Ahrens, Johannes
last_name: Ahrens
- first_name: Linda J. W.
full_name: Shimon, Linda J. W.
last_name: Shimon
- first_name: Rafal
full_name: Klajn, Rafal
id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b
last_name: Klajn
citation:
ama: Gemen J, Ahrens J, Shimon LJW, Klajn R. Modulating the optical properties of
BODIPY dyes by noncovalent dimerization within a flexible coordination cage. Journal
of the American Chemical Society. 2020;142(41):17721-17729. doi:10.1021/jacs.0c08589
apa: Gemen, J., Ahrens, J., Shimon, L. J. W., & Klajn, R. (2020). Modulating
the optical properties of BODIPY dyes by noncovalent dimerization within a flexible
coordination cage. Journal of the American Chemical Society. American Chemical
Society. https://doi.org/10.1021/jacs.0c08589
chicago: Gemen, Julius, Johannes Ahrens, Linda J. W. Shimon, and Rafal Klajn. “Modulating
the Optical Properties of BODIPY Dyes by Noncovalent Dimerization within a Flexible
Coordination Cage.” Journal of the American Chemical Society. American
Chemical Society, 2020. https://doi.org/10.1021/jacs.0c08589.
ieee: J. Gemen, J. Ahrens, L. J. W. Shimon, and R. Klajn, “Modulating the optical
properties of BODIPY dyes by noncovalent dimerization within a flexible coordination
cage,” Journal of the American Chemical Society, vol. 142, no. 41. American
Chemical Society, pp. 17721–17729, 2020.
ista: Gemen J, Ahrens J, Shimon LJW, Klajn R. 2020. Modulating the optical properties
of BODIPY dyes by noncovalent dimerization within a flexible coordination cage.
Journal of the American Chemical Society. 142(41), 17721–17729.
mla: Gemen, Julius, et al. “Modulating the Optical Properties of BODIPY Dyes by
Noncovalent Dimerization within a Flexible Coordination Cage.” Journal of the
American Chemical Society, vol. 142, no. 41, American Chemical Society, 2020,
pp. 17721–29, doi:10.1021/jacs.0c08589.
short: J. Gemen, J. Ahrens, L.J.W. Shimon, R. Klajn, Journal of the American Chemical
Society 142 (2020) 17721–17729.
date_created: 2023-08-01T09:36:10Z
date_published: 2020-10-04T00:00:00Z
date_updated: 2024-10-14T12:12:41Z
day: '04'
doi: 10.1021/jacs.0c08589
extern: '1'
external_id:
pmid:
- '33006898'
intvolume: ' 142'
issue: '41'
keyword:
- Colloid and Surface Chemistry
- Biochemistry
- General Chemistry
- Catalysis
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1021/jacs.0c08589
month: '10'
oa: 1
oa_version: Published Version
page: 17721-17729
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Modulating the optical properties of BODIPY dyes by noncovalent dimerization
within a flexible coordination cage
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 142
year: '2020'
...
---
_id: '13364'
abstract:
- lang: eng
text: Photochromic molecules undergo reversible isomerization upon irradiation with
light at different wavelengths, a process that can alter their physical and chemical
properties. For instance, dihydropyrene (DHP) is a deep-colored compound that
isomerizes to light-brown cyclophanediene (CPD) upon irradiation with visible
light. CPD can then isomerize back to DHP upon irradiation with UV light or thermally
in the dark. Conversion between DHP and CPD is thought to proceed via a biradical
intermediate; bimolecular events involving this unstable intermediate thus result
in rapid decomposition and poor cycling performance. Here, we show that the reversible
isomerization of DHP can be stabilized upon confinement within a PdII6L4 coordination
cage. By protecting this reactive intermediate using the cage, each isomerization
reaction proceeds to higher yield, which significantly decreases the fatigue experienced
by the system upon repeated photocycling. Although molecular confinement is known
to help stabilize reactive species, this effect is not typically employed to protect
reactive intermediates and thus improve reaction yields. We envisage that performing
reactions under confinement will not only improve the cyclic performance of photochromic
molecules, but may also increase the amount of product obtainable from traditionally
low-yielding organic reactions.
article_processing_charge: No
article_type: original
author:
- first_name: Martina
full_name: Canton, Martina
last_name: Canton
- first_name: Angela B.
full_name: Grommet, Angela B.
last_name: Grommet
- first_name: Luca
full_name: Pesce, Luca
last_name: Pesce
- first_name: Julius
full_name: Gemen, Julius
last_name: Gemen
- first_name: Shiming
full_name: Li, Shiming
last_name: Li
- first_name: Yael
full_name: Diskin-Posner, Yael
last_name: Diskin-Posner
- first_name: Alberto
full_name: Credi, Alberto
last_name: Credi
- first_name: Giovanni M.
full_name: Pavan, Giovanni M.
last_name: Pavan
- first_name: Joakim
full_name: Andréasson, Joakim
last_name: Andréasson
- first_name: Rafal
full_name: Klajn, Rafal
id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b
last_name: Klajn
citation:
ama: Canton M, Grommet AB, Pesce L, et al. Improving fatigue resistance of dihydropyrene
by encapsulation within a coordination cage. Journal of the American Chemical
Society. 2020;142(34):14557-14565. doi:10.1021/jacs.0c06146
apa: Canton, M., Grommet, A. B., Pesce, L., Gemen, J., Li, S., Diskin-Posner, Y.,
… Klajn, R. (2020). Improving fatigue resistance of dihydropyrene by encapsulation
within a coordination cage. Journal of the American Chemical Society. American
Chemical Society. https://doi.org/10.1021/jacs.0c06146
chicago: Canton, Martina, Angela B. Grommet, Luca Pesce, Julius Gemen, Shiming Li,
Yael Diskin-Posner, Alberto Credi, Giovanni M. Pavan, Joakim Andréasson, and Rafal
Klajn. “Improving Fatigue Resistance of Dihydropyrene by Encapsulation within
a Coordination Cage.” Journal of the American Chemical Society. American
Chemical Society, 2020. https://doi.org/10.1021/jacs.0c06146.
ieee: M. Canton et al., “Improving fatigue resistance of dihydropyrene by
encapsulation within a coordination cage,” Journal of the American Chemical
Society, vol. 142, no. 34. American Chemical Society, pp. 14557–14565, 2020.
ista: Canton M, Grommet AB, Pesce L, Gemen J, Li S, Diskin-Posner Y, Credi A, Pavan
GM, Andréasson J, Klajn R. 2020. Improving fatigue resistance of dihydropyrene
by encapsulation within a coordination cage. Journal of the American Chemical
Society. 142(34), 14557–14565.
mla: Canton, Martina, et al. “Improving Fatigue Resistance of Dihydropyrene by Encapsulation
within a Coordination Cage.” Journal of the American Chemical Society,
vol. 142, no. 34, American Chemical Society, 2020, pp. 14557–65, doi:10.1021/jacs.0c06146.
short: M. Canton, A.B. Grommet, L. Pesce, J. Gemen, S. Li, Y. Diskin-Posner, A.
Credi, G.M. Pavan, J. Andréasson, R. Klajn, Journal of the American Chemical Society
142 (2020) 14557–14565.
date_created: 2023-08-01T09:36:59Z
date_published: 2020-08-14T00:00:00Z
date_updated: 2023-08-07T10:15:38Z
day: '14'
doi: 10.1021/jacs.0c06146
extern: '1'
external_id:
pmid:
- '32791832'
intvolume: ' 142'
issue: '34'
keyword:
- Colloid and Surface Chemistry
- Biochemistry
- General Chemistry
- Catalysis
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1021/jacs.0c06146
month: '08'
oa: 1
oa_version: Published Version
page: 14557-14565
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Improving fatigue resistance of dihydropyrene by encapsulation within a coordination
cage
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 142
year: '2020'
...
---
_id: '13365'
abstract:
- lang: eng
text: Photoswitchable molecules are employed for many applications, from the development
of active materials to the design of stimuli-responsive molecular systems and
light-powered molecular machines. To fully exploit their potential, we must learn
ways to control the mechanism and kinetics of their photoinduced isomerization.
One possible strategy involves confinement of photoresponsive switches such as
azobenzenes or spiropyrans within crowded molecular environments, which may allow
control over their light-induced conversion. However, the molecular factors that
influence and control the switching process under realistic conditions and within
dynamic molecular regimes often remain difficult to ascertain. As a case study,
here we have employed molecular models to probe the isomerization of azobenzene
guests within a Pd(II)-based coordination cage host in water. Atomistic molecular
dynamics and metadynamics simulations allow us to characterize the flexibility
of the cage in the solvent, the (rare) guest encapsulation and release events,
and the relative probability/kinetics of light-induced isomerization of azobenzene
analogues in these host–guest systems. In this way, we can reconstruct the mechanism
of azobenzene switching inside the cage cavity and explore key molecular factors
that may control this event. We obtain a molecular-level insight on the effects
of crowding and host–guest interactions on azobenzene isomerization. The detailed
picture elucidated by this study may enable the rational design of photoswitchable
systems whose reactivity can be controlled via host–guest interactions.
article_processing_charge: No
article_type: original
author:
- first_name: Luca
full_name: Pesce, Luca
last_name: Pesce
- first_name: Claudio
full_name: Perego, Claudio
last_name: Perego
- first_name: Angela B.
full_name: Grommet, Angela B.
last_name: Grommet
- first_name: Rafal
full_name: Klajn, Rafal
id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b
last_name: Klajn
- first_name: Giovanni M.
full_name: Pavan, Giovanni M.
last_name: Pavan
citation:
ama: Pesce L, Perego C, Grommet AB, Klajn R, Pavan GM. Molecular factors controlling
the isomerization of Azobenzenes in the cavity of a flexible coordination cage.
Journal of the American Chemical Society. 2020;142(21):9792-9802. doi:10.1021/jacs.0c03444
apa: Pesce, L., Perego, C., Grommet, A. B., Klajn, R., & Pavan, G. M. (2020).
Molecular factors controlling the isomerization of Azobenzenes in the cavity of
a flexible coordination cage. Journal of the American Chemical Society.
American Chemical Society. https://doi.org/10.1021/jacs.0c03444
chicago: Pesce, Luca, Claudio Perego, Angela B. Grommet, Rafal Klajn, and Giovanni
M. Pavan. “Molecular Factors Controlling the Isomerization of Azobenzenes in the
Cavity of a Flexible Coordination Cage.” Journal of the American Chemical Society.
American Chemical Society, 2020. https://doi.org/10.1021/jacs.0c03444.
ieee: L. Pesce, C. Perego, A. B. Grommet, R. Klajn, and G. M. Pavan, “Molecular
factors controlling the isomerization of Azobenzenes in the cavity of a flexible
coordination cage,” Journal of the American Chemical Society, vol. 142,
no. 21. American Chemical Society, pp. 9792–9802, 2020.
ista: Pesce L, Perego C, Grommet AB, Klajn R, Pavan GM. 2020. Molecular factors
controlling the isomerization of Azobenzenes in the cavity of a flexible coordination
cage. Journal of the American Chemical Society. 142(21), 9792–9802.
mla: Pesce, Luca, et al. “Molecular Factors Controlling the Isomerization of Azobenzenes
in the Cavity of a Flexible Coordination Cage.” Journal of the American Chemical
Society, vol. 142, no. 21, American Chemical Society, 2020, pp. 9792–802,
doi:10.1021/jacs.0c03444.
short: L. Pesce, C. Perego, A.B. Grommet, R. Klajn, G.M. Pavan, Journal of the American
Chemical Society 142 (2020) 9792–9802.
date_created: 2023-08-01T09:37:12Z
date_published: 2020-04-30T00:00:00Z
date_updated: 2023-08-07T10:18:53Z
day: '30'
doi: 10.1021/jacs.0c03444
extern: '1'
external_id:
pmid:
- '32353237'
intvolume: ' 142'
issue: '21'
keyword:
- Colloid and Surface Chemistry
- Biochemistry
- General Chemistry
- Catalysis
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1021/jacs.0c03444
month: '04'
oa: 1
oa_version: Published Version
page: 9792-9802
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Molecular factors controlling the isomerization of Azobenzenes in the cavity
of a flexible coordination cage
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 142
year: '2020'
...
---
OA_place: repository
OA_type: green
_id: '20766'
abstract:
- lang: eng
text: Reversible catalytic reactions operate under thermodynamic control, and thus,
establishing a selective catalytic system poses a considerable challenge. Herein,
we report a reversible transfer hydrocyanation protocol that exhibits high selectivity
for the thermodynamically less favorable branched isomer. Selectivity is achieved
by exploiting the lower barrier for C–CN oxidative addition and reductive elimination
at benzylic positions in the absence of a cocatalytic Lewis acid. Through the
design of a novel type of HCN donor, a practical, branched-selective, HCN-free
transfer hydrocyanation was realized. The synthetically useful resolution of a
mixture of branched and linear nitrile isomers was also demonstrated to underline
the value of reversible and selective transfer reactions. In a broader context,
this work demonstrates that high kinetic selectivity can be achieved in reversible
transfer reactions, thus opening new horizons for their synthetic applications.
article_processing_charge: No
article_type: original
author:
- first_name: Benjamin N.
full_name: Bhawal, Benjamin N.
last_name: Bhawal
- first_name: Julia
full_name: Reisenbauer, Julia
id: 51d862e9-36ee-11f0-86d3-8534c85a5496
last_name: Reisenbauer
- first_name: Christian
full_name: Ehinger, Christian
last_name: Ehinger
- first_name: Bill
full_name: Morandi, Bill
last_name: Morandi
citation:
ama: 'Bhawal BN, Reisenbauer J, Ehinger C, Morandi B. Overcoming selectivity issues
in reversible catalysis: A transfer hydrocyanation exhibiting high kinetic control.
Journal of the American Chemical Society. 2020;142(25):10914-10920. doi:10.1021/jacs.0c03184'
apa: 'Bhawal, B. N., Reisenbauer, J., Ehinger, C., & Morandi, B. (2020). Overcoming
selectivity issues in reversible catalysis: A transfer hydrocyanation exhibiting
high kinetic control. Journal of the American Chemical Society. American
Chemical Society. https://doi.org/10.1021/jacs.0c03184'
chicago: 'Bhawal, Benjamin N., Julia Reisenbauer, Christian Ehinger, and Bill Morandi.
“Overcoming Selectivity Issues in Reversible Catalysis: A Transfer Hydrocyanation
Exhibiting High Kinetic Control.” Journal of the American Chemical Society.
American Chemical Society, 2020. https://doi.org/10.1021/jacs.0c03184.'
ieee: 'B. N. Bhawal, J. Reisenbauer, C. Ehinger, and B. Morandi, “Overcoming selectivity
issues in reversible catalysis: A transfer hydrocyanation exhibiting high kinetic
control,” Journal of the American Chemical Society, vol. 142, no. 25. American
Chemical Society, pp. 10914–10920, 2020.'
ista: 'Bhawal BN, Reisenbauer J, Ehinger C, Morandi B. 2020. Overcoming selectivity
issues in reversible catalysis: A transfer hydrocyanation exhibiting high kinetic
control. Journal of the American Chemical Society. 142(25), 10914–10920.'
mla: 'Bhawal, Benjamin N., et al. “Overcoming Selectivity Issues in Reversible Catalysis:
A Transfer Hydrocyanation Exhibiting High Kinetic Control.” Journal of the
American Chemical Society, vol. 142, no. 25, American Chemical Society, 2020,
pp. 10914–20, doi:10.1021/jacs.0c03184.'
short: B.N. Bhawal, J. Reisenbauer, C. Ehinger, B. Morandi, Journal of the American
Chemical Society 142 (2020) 10914–10920.
date_created: 2025-12-09T14:25:37Z
date_published: 2020-06-01T00:00:00Z
date_updated: 2025-12-16T12:10:08Z
day: '01'
doi: 10.1021/jacs.0c03184
extern: '1'
external_id:
pmid:
- '32478515'
intvolume: ' 142'
issue: '25'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: 10.26434/chemrxiv.11931633.v1
month: '06'
oa: 1
oa_version: Preprint
page: 10914-10920
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'Overcoming selectivity issues in reversible catalysis: A transfer hydrocyanation
exhibiting high kinetic control'
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 142
year: '2020'
...
---
OA_type: closed access
_id: '17904'
abstract:
- lang: eng
text: The creation of stable molecular monolayers on metallic surfaces is a fundamental
challenge of surface chemistry. N-Heterocyclic carbenes (NHCs) were recently shown
to form self-assembled monolayers that are significantly more stable than the
traditional thiols on Au system. Here we theoretically and experimentally demonstrate
that the smallest cyclic carbene, cyclopropenylidene, binds even more strongly
than NHCs to Au surfaces without altering the surface structure. We deposit bis(diisopropylamino)cyclopropenylidene
(BAC) on Au(111) using the molecular adduct BAC–CO2 as a precursor and determine
the structure, geometry, and behavior of the surface-bound molecules through high-resolution
X-ray photoelectron spectroscopy, atomic force microscopy, and scanning tunneling
microscopy. Our experiments are supported by density functional theory calculations
of the molecular binding energy of BAC on Au(111) and its electronic structure.
Our work is the first demonstration of surface modification with a stable carbene
other than NHC; more broadly, it drives further exploration of various carbenes
on metal surfaces.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Evan A.
full_name: Doud, Evan A.
last_name: Doud
- first_name: Rachel L.
full_name: Starr, Rachel L.
last_name: Starr
- first_name: Gregor
full_name: Kladnik, Gregor
last_name: Kladnik
- first_name: Anastasia
full_name: Voevodin, Anastasia
last_name: Voevodin
- first_name: Enrique
full_name: Montes, Enrique
last_name: Montes
- first_name: Narendra P.
full_name: Arasu, Narendra P.
last_name: Arasu
- first_name: Yaping
full_name: Zang, Yaping
last_name: Zang
- first_name: Percy
full_name: Zahl, Percy
last_name: Zahl
- first_name: Alberto
full_name: Morgante, Alberto
last_name: Morgante
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Héctor
full_name: Vázquez, Héctor
last_name: Vázquez
- first_name: Dean
full_name: Cvetko, Dean
last_name: Cvetko
- first_name: Xavier
full_name: Roy, Xavier
last_name: Roy
citation:
ama: Doud EA, Starr RL, Kladnik G, et al. Cyclopropenylidenes as strong carbene
anchoring groups on Au surfaces. Journal of the American Chemical Society.
2020;142(47):19902-19906. doi:10.1021/jacs.0c10743
apa: Doud, E. A., Starr, R. L., Kladnik, G., Voevodin, A., Montes, E., Arasu, N.
P., … Roy, X. (2020). Cyclopropenylidenes as strong carbene anchoring groups on
Au surfaces. Journal of the American Chemical Society. American Chemical
Society. https://doi.org/10.1021/jacs.0c10743
chicago: Doud, Evan A., Rachel L. Starr, Gregor Kladnik, Anastasia Voevodin, Enrique
Montes, Narendra P. Arasu, Yaping Zang, et al. “Cyclopropenylidenes as Strong
Carbene Anchoring Groups on Au Surfaces.” Journal of the American Chemical
Society. American Chemical Society, 2020. https://doi.org/10.1021/jacs.0c10743.
ieee: E. A. Doud et al., “Cyclopropenylidenes as strong carbene anchoring
groups on Au surfaces,” Journal of the American Chemical Society, vol.
142, no. 47. American Chemical Society, pp. 19902–19906, 2020.
ista: Doud EA, Starr RL, Kladnik G, Voevodin A, Montes E, Arasu NP, Zang Y, Zahl
P, Morgante A, Venkataraman L, Vázquez H, Cvetko D, Roy X. 2020. Cyclopropenylidenes
as strong carbene anchoring groups on Au surfaces. Journal of the American Chemical
Society. 142(47), 19902–19906.
mla: Doud, Evan A., et al. “Cyclopropenylidenes as Strong Carbene Anchoring Groups
on Au Surfaces.” Journal of the American Chemical Society, vol. 142, no.
47, American Chemical Society, 2020, pp. 19902–06, doi:10.1021/jacs.0c10743.
short: E.A. Doud, R.L. Starr, G. Kladnik, A. Voevodin, E. Montes, N.P. Arasu, Y.
Zang, P. Zahl, A. Morgante, L. Venkataraman, H. Vázquez, D. Cvetko, X. Roy, Journal
of the American Chemical Society 142 (2020) 19902–19906.
date_created: 2024-09-09T07:13:45Z
date_published: 2020-11-11T00:00:00Z
date_updated: 2024-12-10T10:34:58Z
day: '11'
doi: 10.1021/jacs.0c10743
extern: '1'
external_id:
pmid:
- '33175526'
intvolume: ' 142'
issue: '47'
language:
- iso: eng
month: '11'
oa_version: None
page: 19902-19906
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Cyclopropenylidenes as strong carbene anchoring groups on Au surfaces
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 142
year: '2020'
...
---
OA_type: closed access
_id: '17909'
abstract:
- lang: eng
text: Atomically precise clusters can be used to create single-electron devices
wherein a single redox-active cluster is connected to two macroscopic electrodes
via anchoring ligands. Unlike single-electron devices comprising nanocrystals,
these cluster-based devices can be fabricated with atomic precision. This affords
an unprecedented level of control over the device properties. Herein, we design
a series of cobalt chalcogenide clusters with varying ligand geometries and core
nuclearities to control their current–voltage (I–V) characteristics in a scanning
tunneling microscope-based break junction (STM-BJ) device. First, the device geometry
is modified by precisely positioning junction-anchoring ligands on the surface
of the cluster. We show that the I–V characteristics are independent of ligand
placement, confirming a sequential, single-electron tunneling mechanism. Next,
we chemically fuse two clusters to realize a larger cluster dimer that behaves
as a single electronic unit, possessing a smaller reorganization energy and more
accessible redox states than the monomeric analogues. As a result, dimer-based
devices exhibit significantly higher currents and can even be pushed to current
saturation at high bias. Owing to these controllable properties, single-cluster
junctions serve as an excellent platform for exploring incoherent charge transport
processes at the nanoscale. With this understanding, as well as properties such
as nonlinear I–V characteristics and rectification, these molecular clusters may
function as conductive inorganic nodes in new devices and materials.
article_processing_charge: No
article_type: original
author:
- first_name: Suman
full_name: Gunasekaran, Suman
last_name: Gunasekaran
- first_name: Douglas A.
full_name: Reed, Douglas A.
last_name: Reed
- first_name: Daniel W.
full_name: Paley, Daniel W.
last_name: Paley
- first_name: Amymarie K.
full_name: Bartholomew, Amymarie K.
last_name: Bartholomew
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Michael L.
full_name: Steigerwald, Michael L.
last_name: Steigerwald
- first_name: Xavier
full_name: Roy, Xavier
last_name: Roy
- first_name: Colin
full_name: Nuckolls, Colin
last_name: Nuckolls
citation:
ama: Gunasekaran S, Reed DA, Paley DW, et al. Single-electron currents in designer
single-cluster devices. Journal of the American Chemical Society. 2020;142(35):14924-14932.
doi:10.1021/jacs.0c04970
apa: Gunasekaran, S., Reed, D. A., Paley, D. W., Bartholomew, A. K., Venkataraman,
L., Steigerwald, M. L., … Nuckolls, C. (2020). Single-electron currents in designer
single-cluster devices. Journal of the American Chemical Society. American
Chemical Society. https://doi.org/10.1021/jacs.0c04970
chicago: Gunasekaran, Suman, Douglas A. Reed, Daniel W. Paley, Amymarie K. Bartholomew,
Latha Venkataraman, Michael L. Steigerwald, Xavier Roy, and Colin Nuckolls. “Single-Electron
Currents in Designer Single-Cluster Devices.” Journal of the American Chemical
Society. American Chemical Society, 2020. https://doi.org/10.1021/jacs.0c04970.
ieee: S. Gunasekaran et al., “Single-electron currents in designer single-cluster
devices,” Journal of the American Chemical Society, vol. 142, no. 35. American
Chemical Society, pp. 14924–14932, 2020.
ista: Gunasekaran S, Reed DA, Paley DW, Bartholomew AK, Venkataraman L, Steigerwald
ML, Roy X, Nuckolls C. 2020. Single-electron currents in designer single-cluster
devices. Journal of the American Chemical Society. 142(35), 14924–14932.
mla: Gunasekaran, Suman, et al. “Single-Electron Currents in Designer Single-Cluster
Devices.” Journal of the American Chemical Society, vol. 142, no. 35, American
Chemical Society, 2020, pp. 14924–32, doi:10.1021/jacs.0c04970.
short: S. Gunasekaran, D.A. Reed, D.W. Paley, A.K. Bartholomew, L. Venkataraman,
M.L. Steigerwald, X. Roy, C. Nuckolls, Journal of the American Chemical Society
142 (2020) 14924–14932.
date_created: 2024-09-09T07:19:56Z
date_published: 2020-08-18T00:00:00Z
date_updated: 2024-12-10T12:04:31Z
day: '18'
doi: 10.1021/jacs.0c04970
extern: '1'
external_id:
pmid:
- '32809814'
intvolume: ' 142'
issue: '35'
language:
- iso: eng
month: '08'
oa_version: None
page: 14924-14932
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Single-electron currents in designer single-cluster devices
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 142
year: '2020'
...
---
OA_type: closed access
_id: '17912'
abstract:
- lang: eng
text: Aryl halides are ubiquitous functional groups in organic chemistry, yet despite
their obvious appeal as surface-binding linkers and as precursors for controlled
graphene nanoribbon synthesis, they have seldom been used as such in molecular
electronics. The confusion regarding the bonding of aryl iodides to Au electrodes
is a case in point, with ambiguous reports of both dative Au–I and covalent Au–C
contacts. Here we form single-molecule junctions with a series of oligophenylene
molecular wires terminated asymmetrically with iodine and thiomethyl to show that
the dative Au–I contact has a lower conductance than the covalent Au–C interaction,
which we propose occurs via an in situ oxidative addition reaction at the Au surface.
Furthermore, we confirm the formation of the Au–C bond by measuring an analogous
series of molecules prepared ex situ with the complex AuI(PPh3) in place of the
iodide. Density functional theory-based transport calculations support our experimental
observations that Au–C linkages have higher conductance than Au–I linkages. Finally,
we demonstrate selective promotion of the Au–C bond formation by controlling the
bias applied across the junction. In addition to establishing the different binding
modes of aryl iodides, our results chart a path to actively controlling oxidative
addition on an Au surface using an applied bias.
article_processing_charge: No
article_type: original
author:
- first_name: Rachel L.
full_name: Starr, Rachel L.
last_name: Starr
- first_name: Tianren
full_name: Fu, Tianren
last_name: Fu
- first_name: Evan A.
full_name: Doud, Evan A.
last_name: Doud
- first_name: Ilana
full_name: Stone, Ilana
last_name: Stone
- first_name: Xavier
full_name: Roy, Xavier
last_name: Roy
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Starr RL, Fu T, Doud EA, Stone I, Roy X, Venkataraman L. Gold–carbon contacts
from oxidative addition of aryl iodides. Journal of the American Chemical Society.
2020;142(15):7128-7133. doi:10.1021/jacs.0c01466
apa: Starr, R. L., Fu, T., Doud, E. A., Stone, I., Roy, X., & Venkataraman,
L. (2020). Gold–carbon contacts from oxidative addition of aryl iodides. Journal
of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.0c01466
chicago: Starr, Rachel L., Tianren Fu, Evan A. Doud, Ilana Stone, Xavier Roy, and
Latha Venkataraman. “Gold–Carbon Contacts from Oxidative Addition of Aryl Iodides.”
Journal of the American Chemical Society. American Chemical Society, 2020.
https://doi.org/10.1021/jacs.0c01466.
ieee: R. L. Starr, T. Fu, E. A. Doud, I. Stone, X. Roy, and L. Venkataraman, “Gold–carbon
contacts from oxidative addition of aryl iodides,” Journal of the American
Chemical Society, vol. 142, no. 15. American Chemical Society, pp. 7128–7133,
2020.
ista: Starr RL, Fu T, Doud EA, Stone I, Roy X, Venkataraman L. 2020. Gold–carbon
contacts from oxidative addition of aryl iodides. Journal of the American Chemical
Society. 142(15), 7128–7133.
mla: Starr, Rachel L., et al. “Gold–Carbon Contacts from Oxidative Addition of Aryl
Iodides.” Journal of the American Chemical Society, vol. 142, no. 15, American
Chemical Society, 2020, pp. 7128–33, doi:10.1021/jacs.0c01466.
short: R.L. Starr, T. Fu, E.A. Doud, I. Stone, X. Roy, L. Venkataraman, Journal
of the American Chemical Society 142 (2020) 7128–7133.
date_created: 2024-09-09T07:22:26Z
date_published: 2020-03-26T00:00:00Z
date_updated: 2024-12-10T12:20:47Z
day: '26'
doi: 10.1021/jacs.0c01466
extern: '1'
external_id:
pmid:
- '32212683'
intvolume: ' 142'
issue: '15'
language:
- iso: eng
month: '03'
oa_version: None
page: 7128-7133
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Gold–carbon contacts from oxidative addition of aryl iodides
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 142
year: '2020'
...
---
_id: '8040'
abstract:
- lang: eng
text: The mitochondrial respiratory chain, formed by five protein complexes, utilizes
energy from catabolic processes to synthesize ATP. Complex I, the first and the
largest protein complex of the chain, harvests electrons from NADH to reduce quinone,
while pumping protons across the mitochondrial membrane. Detailed knowledge of
the working principle of such coupled charge-transfer processes remains, however,
fragmentary due to bottlenecks in understanding redox-driven conformational transitions
and their interplay with the hydrated proton pathways. Complex I from Thermus
thermophilus encases 16 subunits with nine iron–sulfur clusters, reduced by electrons
from NADH. Here, employing the latest crystal structure of T. thermophilus complex
I, we have used microsecond-scale molecular dynamics simulations to study the
chemo-mechanical coupling between redox changes of the iron–sulfur clusters and
conformational transitions across complex I. First, we identify the redox switches
within complex I, which allosterically couple the dynamics of the quinone binding
pocket to the site of NADH reduction. Second, our free-energy calculations reveal
that the affinity of the quinone, specifically menaquinone, for the binding-site
is higher than that of its reduced, menaquinol form—a design essential for menaquinol
release. Remarkably, the barriers to diffusive menaquinone dynamics are lesser
than that of the more ubiquitous ubiquinone, and the naphthoquinone headgroup
of the former furnishes stronger binding interactions with the pocket, favoring
menaquinone for charge transport in T. thermophilus. Our computations are consistent
with experimentally validated mutations and hierarchize the key residues into
three functional classes, identifying new mutation targets. Third, long-range
hydrogen-bond networks connecting the quinone-binding site to the transmembrane
subunits are found to be responsible for proton pumping. Put together, the simulations
reveal the molecular design principles linking redox reactions to quinone turnover
to proton translocation in complex I.
article_processing_charge: No
article_type: original
author:
- first_name: Chitrak
full_name: Gupta, Chitrak
last_name: Gupta
- first_name: Umesh
full_name: Khaniya, Umesh
last_name: Khaniya
- first_name: Chun Kit
full_name: Chan, Chun Kit
last_name: Chan
- first_name: Francois
full_name: Dehez, Francois
last_name: Dehez
- first_name: Mrinal
full_name: Shekhar, Mrinal
last_name: Shekhar
- first_name: M. R.
full_name: Gunner, M. R.
last_name: Gunner
- first_name: Leonid A
full_name: Sazanov, Leonid A
id: 338D39FE-F248-11E8-B48F-1D18A9856A87
last_name: Sazanov
orcid: 0000-0002-0977-7989
- first_name: Christophe
full_name: Chipot, Christophe
last_name: Chipot
- first_name: Abhishek
full_name: Singharoy, Abhishek
last_name: Singharoy
citation:
ama: Gupta C, Khaniya U, Chan CK, et al. Charge transfer and chemo-mechanical coupling
in respiratory complex I. Journal of the American Chemical Society. 2020;142(20):9220-9230.
doi:10.1021/jacs.9b13450
apa: Gupta, C., Khaniya, U., Chan, C. K., Dehez, F., Shekhar, M., Gunner, M. R.,
… Singharoy, A. (2020). Charge transfer and chemo-mechanical coupling in respiratory
complex I. Journal of the American Chemical Society. American Chemical
Society. https://doi.org/10.1021/jacs.9b13450
chicago: Gupta, Chitrak, Umesh Khaniya, Chun Kit Chan, Francois Dehez, Mrinal Shekhar,
M. R. Gunner, Leonid A Sazanov, Christophe Chipot, and Abhishek Singharoy. “Charge
Transfer and Chemo-Mechanical Coupling in Respiratory Complex I.” Journal of
the American Chemical Society. American Chemical Society, 2020. https://doi.org/10.1021/jacs.9b13450.
ieee: C. Gupta et al., “Charge transfer and chemo-mechanical coupling in
respiratory complex I,” Journal of the American Chemical Society, vol.
142, no. 20. American Chemical Society, pp. 9220–9230, 2020.
ista: Gupta C, Khaniya U, Chan CK, Dehez F, Shekhar M, Gunner MR, Sazanov LA, Chipot
C, Singharoy A. 2020. Charge transfer and chemo-mechanical coupling in respiratory
complex I. Journal of the American Chemical Society. 142(20), 9220–9230.
mla: Gupta, Chitrak, et al. “Charge Transfer and Chemo-Mechanical Coupling in Respiratory
Complex I.” Journal of the American Chemical Society, vol. 142, no. 20,
American Chemical Society, 2020, pp. 9220–30, doi:10.1021/jacs.9b13450.
short: C. Gupta, U. Khaniya, C.K. Chan, F. Dehez, M. Shekhar, M.R. Gunner, L.A.
Sazanov, C. Chipot, A. Singharoy, Journal of the American Chemical Society 142
(2020) 9220–9230.
corr_author: '1'
date_created: 2020-06-29T07:59:35Z
date_published: 2020-05-20T00:00:00Z
date_updated: 2026-07-06T12:16:34Z
day: '20'
department:
- _id: LeSa
doi: 10.1021/jacs.9b13450
external_id:
isi:
- '000537415600020'
pmid:
- '32347721'
intvolume: ' 142'
isi: 1
issue: '20'
language:
- iso: eng
month: '05'
oa_version: None
page: 9220-9230
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
related_material:
record:
- id: '9878'
relation: research_data
status: public
- id: '9326'
relation: research_data
status: public
- id: '9713'
relation: research_data
status: public
scopus_import: '1'
status: public
title: Charge transfer and chemo-mechanical coupling in respiratory complex I
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 142
year: '2020'
...
---
_id: '13373'
abstract:
- lang: eng
text: The reversible photoisomerization of azobenzene has been utilized to construct
a plethora of systems in which optical, electronic, catalytic, and other properties
can be controlled by light. However, owing to azobenzene’s hydrophobic nature,
most of these examples have been realized only in organic solvents, and systems
operating in water are relatively scarce. Here, we show that by coadsorbing the
inherently hydrophobic azobenzenes with water-solubilizing ligands on the same
nanoparticulate platforms, it is possible to render them essentially water-soluble.
To this end, we developed a modified nanoparticle functionalization procedure
allowing us to precisely fine-tune the amount of azobenzene on the functionalized
nanoparticles. Molecular dynamics simulations helped us to identify two distinct
supramolecular architectures (depending on the length of the background ligand)
on these nanoparticles, which can explain their excellent aqueous solubilities.
Azobenzenes adsorbed on these water-soluble nanoparticles exhibit highly reversible
photoisomerization upon exposure to UV and visible light. Importantly, the mixed-monolayer
approach allowed us to systematically investigate how the background ligand affects
the switching properties of azobenzene. We found that the nature of the background
ligand has a profound effect on the kinetics of azobenzene switching. For example,
a hydroxy-terminated background ligand is capable of accelerating the back-isomerization
reaction by more than 6000-fold. These results pave the way toward the development
of novel light-responsive nanomaterials operating in aqueous media and, in the
long run, in biological environments.
article_processing_charge: No
article_type: original
author:
- first_name: Zonglin
full_name: Chu, Zonglin
last_name: Chu
- first_name: Yanxiao
full_name: Han, Yanxiao
last_name: Han
- first_name: Tong
full_name: Bian, Tong
last_name: Bian
- first_name: Soumen
full_name: De, Soumen
last_name: De
- first_name: Petr
full_name: Král, Petr
last_name: Král
- first_name: Rafal
full_name: Klajn, Rafal
id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b
last_name: Klajn
citation:
ama: Chu Z, Han Y, Bian T, De S, Král P, Klajn R. Supramolecular control of azobenzene
switching on nanoparticles. Journal of the American Chemical Society. 2019;141(5):1949-1960.
doi:10.1021/jacs.8b09638
apa: Chu, Z., Han, Y., Bian, T., De, S., Král, P., & Klajn, R. (2019). Supramolecular
control of azobenzene switching on nanoparticles. Journal of the American Chemical
Society. American Chemical Society. https://doi.org/10.1021/jacs.8b09638
chicago: Chu, Zonglin, Yanxiao Han, Tong Bian, Soumen De, Petr Král, and Rafal Klajn.
“Supramolecular Control of Azobenzene Switching on Nanoparticles.” Journal
of the American Chemical Society. American Chemical Society, 2019. https://doi.org/10.1021/jacs.8b09638.
ieee: Z. Chu, Y. Han, T. Bian, S. De, P. Král, and R. Klajn, “Supramolecular control
of azobenzene switching on nanoparticles,” Journal of the American Chemical
Society, vol. 141, no. 5. American Chemical Society, pp. 1949–1960, 2019.
ista: Chu Z, Han Y, Bian T, De S, Král P, Klajn R. 2019. Supramolecular control
of azobenzene switching on nanoparticles. Journal of the American Chemical Society.
141(5), 1949–1960.
mla: Chu, Zonglin, et al. “Supramolecular Control of Azobenzene Switching on Nanoparticles.”
Journal of the American Chemical Society, vol. 141, no. 5, American Chemical
Society, 2019, pp. 1949–60, doi:10.1021/jacs.8b09638.
short: Z. Chu, Y. Han, T. Bian, S. De, P. Král, R. Klajn, Journal of the American
Chemical Society 141 (2019) 1949–1960.
date_created: 2023-08-01T09:39:19Z
date_published: 2019-02-06T00:00:00Z
date_updated: 2024-10-14T12:14:23Z
day: '06'
doi: 10.1021/jacs.8b09638
extern: '1'
external_id:
pmid:
- '30595017'
intvolume: ' 141'
issue: '5'
keyword:
- Colloid and Surface Chemistry
- Biochemistry
- General Chemistry
- Catalysis
language:
- iso: eng
month: '02'
oa_version: Published Version
page: 1949-1960
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Supramolecular control of azobenzene switching on nanoparticles
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 141
year: '2019'
...
---
_id: '8408'
abstract:
- lang: eng
text: Aromatic residues are located at structurally important sites of many proteins.
Probing their interactions and dynamics can provide important functional insight
but is challenging in large proteins. Here, we introduce approaches to characterize
dynamics of phenylalanine residues using 1H-detected fast magic-angle spinning
(MAS) NMR combined with a tailored isotope-labeling scheme. Our approach yields
isolated two-spin systems that are ideally suited for artefact-free dynamics measurements,
and allows probing motions effectively without molecular-weight limitations. The
application to the TET2 enzyme assembly of ~0.5 MDa size, the currently largest
protein assigned by MAS NMR, provides insights into motions occurring on a wide
range of time scales (ps-ms). We quantitatively probe ring flip motions, and show
the temperature dependence by MAS NMR measurements down to 100 K. Interestingly,
favorable line widths are observed down to 100 K, with potential implications
for DNP NMR. Furthermore, we report the first 13C R1ρ MAS NMR relaxation-dispersion
measurements and detect structural excursions occurring on a microsecond time
scale in the entry pore to the catalytic chamber and at a trimer interface that
was proposed as exit pore. We show that the labeling scheme with deuteration at
ca. 50 kHz MAS provides superior resolution compared to 100 kHz MAS experiments
with protonated, uniformly 13C-labeled samples.
article_processing_charge: No
article_type: original
author:
- first_name: Diego F.
full_name: Gauto, Diego F.
last_name: Gauto
- first_name: Pavel
full_name: Macek, Pavel
last_name: Macek
- first_name: Alessandro
full_name: Barducci, Alessandro
last_name: Barducci
- first_name: Hugo
full_name: Fraga, Hugo
last_name: Fraga
- first_name: Audrey
full_name: Hessel, Audrey
last_name: Hessel
- first_name: Tsutomu
full_name: Terauchi, Tsutomu
last_name: Terauchi
- first_name: David
full_name: Gajan, David
last_name: Gajan
- first_name: Yohei
full_name: Miyanoiri, Yohei
last_name: Miyanoiri
- first_name: Jerome
full_name: Boisbouvier, Jerome
last_name: Boisbouvier
- first_name: Roman
full_name: Lichtenecker, Roman
last_name: Lichtenecker
- first_name: Masatsune
full_name: Kainosho, Masatsune
last_name: Kainosho
- first_name: Paul
full_name: Schanda, Paul
id: 7B541462-FAF6-11E9-A490-E8DFE5697425
last_name: Schanda
orcid: 0000-0002-9350-7606
citation:
ama: Gauto DF, Macek P, Barducci A, et al. Aromatic ring dynamics, thermal activation,
and transient conformations of a 468 kDa enzyme by specific 1H–13C labeling and
fast magic-angle spinning NMR. Journal of the American Chemical Society.
2019;141(28):11183-11195. doi:10.1021/jacs.9b04219
apa: Gauto, D. F., Macek, P., Barducci, A., Fraga, H., Hessel, A., Terauchi, T.,
… Schanda, P. (2019). Aromatic ring dynamics, thermal activation, and transient
conformations of a 468 kDa enzyme by specific 1H–13C labeling and fast magic-angle
spinning NMR. Journal of the American Chemical Society. American Chemical
Society. https://doi.org/10.1021/jacs.9b04219
chicago: Gauto, Diego F., Pavel Macek, Alessandro Barducci, Hugo Fraga, Audrey Hessel,
Tsutomu Terauchi, David Gajan, et al. “Aromatic Ring Dynamics, Thermal Activation,
and Transient Conformations of a 468 KDa Enzyme by Specific 1H–13C Labeling and
Fast Magic-Angle Spinning NMR.” Journal of the American Chemical Society.
American Chemical Society, 2019. https://doi.org/10.1021/jacs.9b04219.
ieee: D. F. Gauto et al., “Aromatic ring dynamics, thermal activation, and
transient conformations of a 468 kDa enzyme by specific 1H–13C labeling and fast
magic-angle spinning NMR,” Journal of the American Chemical Society, vol.
141, no. 28. American Chemical Society, pp. 11183–11195, 2019.
ista: Gauto DF, Macek P, Barducci A, Fraga H, Hessel A, Terauchi T, Gajan D, Miyanoiri
Y, Boisbouvier J, Lichtenecker R, Kainosho M, Schanda P. 2019. Aromatic ring dynamics,
thermal activation, and transient conformations of a 468 kDa enzyme by specific
1H–13C labeling and fast magic-angle spinning NMR. Journal of the American Chemical
Society. 141(28), 11183–11195.
mla: Gauto, Diego F., et al. “Aromatic Ring Dynamics, Thermal Activation, and Transient
Conformations of a 468 KDa Enzyme by Specific 1H–13C Labeling and Fast Magic-Angle
Spinning NMR.” Journal of the American Chemical Society, vol. 141, no.
28, American Chemical Society, 2019, pp. 11183–95, doi:10.1021/jacs.9b04219.
short: D.F. Gauto, P. Macek, A. Barducci, H. Fraga, A. Hessel, T. Terauchi, D. Gajan,
Y. Miyanoiri, J. Boisbouvier, R. Lichtenecker, M. Kainosho, P. Schanda, Journal
of the American Chemical Society 141 (2019) 11183–11195.
date_created: 2020-09-17T10:29:00Z
date_published: 2019-06-14T00:00:00Z
date_updated: 2021-01-12T08:19:04Z
day: '14'
doi: 10.1021/jacs.9b04219
extern: '1'
external_id:
pmid:
- '31199882'
intvolume: ' 141'
issue: '28'
keyword:
- Colloid and Surface Chemistry
- Biochemistry
- General Chemistry
- Catalysis
language:
- iso: eng
month: '06'
oa_version: Submitted Version
page: 11183-11195
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
issn:
- 0002-7863
- 1520-5126
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
status: public
title: Aromatic ring dynamics, thermal activation, and transient conformations of
a 468 kDa enzyme by specific 1H–13C labeling and fast magic-angle spinning NMR
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 141
year: '2019'
...
---
_id: '8413'
abstract:
- lang: eng
text: NMR relaxation dispersion methods provide a holistic way to observe microsecond
time-scale protein backbone motion both in solution and in the solid state. Different
nuclei (1H and 15N) and different relaxation dispersion techniques (Bloch–McConnell
and near-rotary-resonance) give complementary information about the amplitudes
and time scales of the conformational dynamics and provide comprehensive insights
into the mechanistic details of the structural rearrangements. In this paper,
we exemplify the benefits of the combination of various solution- and solid-state
relaxation dispersion methods on a microcrystalline protein (α-spectrin SH3 domain),
for which we are able to identify and model the functionally relevant conformational
rearrangements around the ligand recognition loop occurring on multiple microsecond
time scales. The observed loop motions suggest that the SH3 domain exists in a
binding-competent conformation in dynamic equilibrium with a sterically impaired
ground-state conformation both in solution and in crystalline form. This inherent
plasticity between the interconverting macrostates is compatible with a conformational-preselection
model and provides new insights into the recognition mechanisms of SH3 domains.
article_processing_charge: No
article_type: original
author:
- first_name: Petra
full_name: Rovó, Petra
last_name: Rovó
- first_name: Colin A.
full_name: Smith, Colin A.
last_name: Smith
- first_name: Diego
full_name: Gauto, Diego
last_name: Gauto
- first_name: Bert L.
full_name: de Groot, Bert L.
last_name: de Groot
- first_name: Paul
full_name: Schanda, Paul
id: 7B541462-FAF6-11E9-A490-E8DFE5697425
last_name: Schanda
orcid: 0000-0002-9350-7606
- first_name: Rasmus
full_name: Linser, Rasmus
last_name: Linser
citation:
ama: Rovó P, Smith CA, Gauto D, de Groot BL, Schanda P, Linser R. Mechanistic insights
into microsecond time-scale motion of solid proteins using complementary 15N and
1H relaxation dispersion techniques. Journal of the American Chemical Society.
2019;141(2):858-869. doi:10.1021/jacs.8b09258
apa: Rovó, P., Smith, C. A., Gauto, D., de Groot, B. L., Schanda, P., & Linser,
R. (2019). Mechanistic insights into microsecond time-scale motion of solid proteins
using complementary 15N and 1H relaxation dispersion techniques. Journal of
the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.8b09258
chicago: Rovó, Petra, Colin A. Smith, Diego Gauto, Bert L. de Groot, Paul Schanda,
and Rasmus Linser. “Mechanistic Insights into Microsecond Time-Scale Motion of
Solid Proteins Using Complementary 15N and 1H Relaxation Dispersion Techniques.”
Journal of the American Chemical Society. American Chemical Society, 2019.
https://doi.org/10.1021/jacs.8b09258.
ieee: P. Rovó, C. A. Smith, D. Gauto, B. L. de Groot, P. Schanda, and R. Linser,
“Mechanistic insights into microsecond time-scale motion of solid proteins using
complementary 15N and 1H relaxation dispersion techniques,” Journal of the
American Chemical Society, vol. 141, no. 2. American Chemical Society, pp.
858–869, 2019.
ista: Rovó P, Smith CA, Gauto D, de Groot BL, Schanda P, Linser R. 2019. Mechanistic
insights into microsecond time-scale motion of solid proteins using complementary
15N and 1H relaxation dispersion techniques. Journal of the American Chemical
Society. 141(2), 858–869.
mla: Rovó, Petra, et al. “Mechanistic Insights into Microsecond Time-Scale Motion
of Solid Proteins Using Complementary 15N and 1H Relaxation Dispersion Techniques.”
Journal of the American Chemical Society, vol. 141, no. 2, American Chemical
Society, 2019, pp. 858–69, doi:10.1021/jacs.8b09258.
short: P. Rovó, C.A. Smith, D. Gauto, B.L. de Groot, P. Schanda, R. Linser, Journal
of the American Chemical Society 141 (2019) 858–869.
date_created: 2020-09-17T10:29:50Z
date_published: 2019-01-08T00:00:00Z
date_updated: 2021-01-12T08:19:07Z
day: '08'
doi: 10.1021/jacs.8b09258
extern: '1'
external_id:
pmid:
- '30620186'
intvolume: ' 141'
issue: '2'
keyword:
- Colloid and Surface Chemistry
- Biochemistry
- General Chemistry
- Catalysis
language:
- iso: eng
month: '01'
oa_version: Submitted Version
page: 858-869
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
issn:
- 0002-7863
- 1520-5126
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
status: public
title: Mechanistic insights into microsecond time-scale motion of solid proteins using
complementary 15N and 1H relaxation dispersion techniques
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 141
year: '2019'
...
---
_id: '6586'
abstract:
- lang: eng
text: The bottom-up assembly of colloidal nanocrystals is a versatile methodology
to produce composite nanomaterials with precisely tuned electronic properties.
Beyond the synthetic control over crystal domain size, shape, crystal phase, and
composition, solution-processed nanocrystals allow exquisite surface engineering.
This provides additional means to modulate the nanomaterial characteristics and
particularly its electronic transport properties. For instance, inorganic surface
ligands can be used to tune the type and concentration of majority carriers or
to modify the electronic band structure. Herein, we report the thermoelectric
properties of SnTe nanocomposites obtained from the consolidation of surface-engineered
SnTe nanocrystals into macroscopic pellets. A CdSe-based ligand is selected to
(i) converge the light and heavy bands through partial Cd alloying and (ii) generate
CdSe nanoinclusions as a secondary phase within the SnTe matrix, thereby reducing
the thermal conductivity. These SnTe-CdSe nanocomposites possess thermoelectric
figures of merit of up to 1.3 at 850 K, which is, to the best of our knowledge,
the highest thermoelectric figure of merit reported for solution-processed SnTe.
article_processing_charge: No
article_type: original
author:
- first_name: Maria
full_name: Ibáñez, Maria
id: 43C61214-F248-11E8-B48F-1D18A9856A87
last_name: Ibáñez
orcid: 0000-0001-5013-2843
- first_name: Roger
full_name: Hasler, Roger
last_name: Hasler
- first_name: Aziz
full_name: Genç, Aziz
last_name: Genç
- first_name: Yu
full_name: Liu, Yu
id: 2A70014E-F248-11E8-B48F-1D18A9856A87
last_name: Liu
orcid: 0000-0001-7313-6740
- first_name: Beatrice
full_name: Kuster, Beatrice
last_name: Kuster
- first_name: Maximilian
full_name: Schuster, Maximilian
last_name: Schuster
- first_name: Oleksandr
full_name: Dobrozhan, Oleksandr
last_name: Dobrozhan
- first_name: Doris
full_name: Cadavid, Doris
last_name: Cadavid
- first_name: Jordi
full_name: Arbiol, Jordi
last_name: Arbiol
- first_name: Andreu
full_name: Cabot, Andreu
last_name: Cabot
- first_name: Maksym V.
full_name: Kovalenko, Maksym V.
last_name: Kovalenko
citation:
ama: Ibáñez M, Hasler R, Genç A, et al. Ligand-mediated band engineering in bottom-up
assembled SnTe nanocomposites for thermoelectric energy conversion. Journal
of the American Chemical Society. 2019;141(20):8025-8029. doi:10.1021/jacs.9b01394
apa: Ibáñez, M., Hasler, R., Genç, A., Liu, Y., Kuster, B., Schuster, M., … Kovalenko,
M. V. (2019). Ligand-mediated band engineering in bottom-up assembled SnTe nanocomposites
for thermoelectric energy conversion. Journal of the American Chemical Society.
American Chemical Society. https://doi.org/10.1021/jacs.9b01394
chicago: Ibáñez, Maria, Roger Hasler, Aziz Genç, Yu Liu, Beatrice Kuster, Maximilian
Schuster, Oleksandr Dobrozhan, et al. “Ligand-Mediated Band Engineering in Bottom-up
Assembled SnTe Nanocomposites for Thermoelectric Energy Conversion.” Journal
of the American Chemical Society. American Chemical Society, 2019. https://doi.org/10.1021/jacs.9b01394.
ieee: M. Ibáñez et al., “Ligand-mediated band engineering in bottom-up assembled
SnTe nanocomposites for thermoelectric energy conversion,” Journal of the American
Chemical Society, vol. 141, no. 20. American Chemical Society, pp. 8025–8029,
2019.
ista: Ibáñez M, Hasler R, Genç A, Liu Y, Kuster B, Schuster M, Dobrozhan O, Cadavid
D, Arbiol J, Cabot A, Kovalenko MV. 2019. Ligand-mediated band engineering in
bottom-up assembled SnTe nanocomposites for thermoelectric energy conversion.
Journal of the American Chemical Society. 141(20), 8025–8029.
mla: Ibáñez, Maria, et al. “Ligand-Mediated Band Engineering in Bottom-up Assembled
SnTe Nanocomposites for Thermoelectric Energy Conversion.” Journal of the American
Chemical Society, vol. 141, no. 20, American Chemical Society, 2019, pp. 8025–29,
doi:10.1021/jacs.9b01394.
short: M. Ibáñez, R. Hasler, A. Genç, Y. Liu, B. Kuster, M. Schuster, O. Dobrozhan,
D. Cadavid, J. Arbiol, A. Cabot, M.V. Kovalenko, Journal of the American Chemical
Society 141 (2019) 8025–8029.
date_created: 2019-06-25T11:53:35Z
date_published: 2019-04-19T00:00:00Z
date_updated: 2025-04-14T07:44:06Z
day: '19'
ddc:
- '540'
department:
- _id: MaIb
doi: 10.1021/jacs.9b01394
ec_funded: 1
external_id:
isi:
- '000469292300004'
pmid:
- '31017419 '
file:
- access_level: open_access
checksum: 34d7ec837869cc6a07996b54f75696b7
content_type: application/pdf
creator: cpetz
date_created: 2019-06-25T11:59:00Z
date_updated: 2020-07-14T12:47:34Z
file_id: '6587'
file_name: JACS_April2019.pdf
file_size: 6234004
relation: main_file
file_date_updated: 2020-07-14T12:47:34Z
has_accepted_license: '1'
intvolume: ' 141'
isi: 1
issue: '20'
language:
- iso: eng
month: '04'
oa: 1
oa_version: Published Version
page: 8025-8029
pmid: 1
project:
- _id: 260C2330-B435-11E9-9278-68D0E5697425
call_identifier: H2020
grant_number: '754411'
name: ISTplus - Postdoctoral Fellowships
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Ligand-mediated band engineering in bottom-up assembled SnTe nanocomposites
for thermoelectric energy conversion
type: journal_article
user_id: c635000d-4b10-11ee-a964-aac5a93f6ac1
volume: 141
year: '2019'
...
---
OA_type: closed access
_id: '17918'
abstract:
- lang: eng
text: The single-molecule conductance of silanes is suppressed due to destructive
quantum interference in conformations with cisoid dihedral angles along the molecular
backbone. Yet, despite the structural similarity, σ-interference effects have
not been observed in alkanes. Here we report that the methyl substituents used
in silanes are a prerequisite for σ-interference in these systems. Through density
functional theory calculations, we find that the destructive interference is not
evident to the same extent in nonmethylated silanes. We find the same is true
in alkanes as the transmission is significantly suppressed in permethylated cyclic
and bicyclic alkanes. Using scanning tunneling microscope break-junction method
we determine the single-molecule conductance of functionalized cyclohexane and
bicyclo[2.2.2]octane that are found to be higher than that of equivalent permethylated
silanes. Rather than the difference between carbon and silicon atoms in the molecular
backbones, our calculations reveal that it is primarily the difference between
hydrogen and methyl substituents that result in the different electron transport
properties of nonmethylated alkanes and permethylated silanes. Chemical substituents
play an important role in determining the single-molecule conductance of saturated
molecules, and this must be considered when we improve and expand the chemical
design of insulating organic molecules.
article_processing_charge: No
article_type: original
author:
- first_name: Marc H.
full_name: Garner, Marc H.
last_name: Garner
- first_name: Haixing
full_name: Li, Haixing
last_name: Li
- first_name: Madhav
full_name: Neupane, Madhav
last_name: Neupane
- first_name: Qi
full_name: Zou, Qi
last_name: Zou
- first_name: Taifeng
full_name: Liu, Taifeng
last_name: Liu
- first_name: Timothy A.
full_name: Su, Timothy A.
last_name: Su
- first_name: Zhichun
full_name: Shangguan, Zhichun
last_name: Shangguan
- first_name: Daniel W.
full_name: Paley, Daniel W.
last_name: Paley
- first_name: Fay
full_name: Ng, Fay
last_name: Ng
- first_name: Shengxiong
full_name: Xiao, Shengxiong
last_name: Xiao
- first_name: Colin
full_name: Nuckolls, Colin
last_name: Nuckolls
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Gemma C.
full_name: Solomon, Gemma C.
last_name: Solomon
citation:
ama: Garner MH, Li H, Neupane M, et al. Permethylation introduces destructive quantum
interference in saturated silanes. Journal of the American Chemical Society.
2019;141(39):15471-15476. doi:10.1021/jacs.9b06965
apa: Garner, M. H., Li, H., Neupane, M., Zou, Q., Liu, T., Su, T. A., … Solomon,
G. C. (2019). Permethylation introduces destructive quantum interference in saturated
silanes. Journal of the American Chemical Society. American Chemical Society.
https://doi.org/10.1021/jacs.9b06965
chicago: Garner, Marc H., Haixing Li, Madhav Neupane, Qi Zou, Taifeng Liu, Timothy
A. Su, Zhichun Shangguan, et al. “Permethylation Introduces Destructive Quantum
Interference in Saturated Silanes.” Journal of the American Chemical Society.
American Chemical Society, 2019. https://doi.org/10.1021/jacs.9b06965.
ieee: M. H. Garner et al., “Permethylation introduces destructive quantum
interference in saturated silanes,” Journal of the American Chemical Society,
vol. 141, no. 39. American Chemical Society, pp. 15471–15476, 2019.
ista: Garner MH, Li H, Neupane M, Zou Q, Liu T, Su TA, Shangguan Z, Paley DW, Ng
F, Xiao S, Nuckolls C, Venkataraman L, Solomon GC. 2019. Permethylation introduces
destructive quantum interference in saturated silanes. Journal of the American
Chemical Society. 141(39), 15471–15476.
mla: Garner, Marc H., et al. “Permethylation Introduces Destructive Quantum Interference
in Saturated Silanes.” Journal of the American Chemical Society, vol. 141,
no. 39, American Chemical Society, 2019, pp. 15471–76, doi:10.1021/jacs.9b06965.
short: M.H. Garner, H. Li, M. Neupane, Q. Zou, T. Liu, T.A. Su, Z. Shangguan, D.W.
Paley, F. Ng, S. Xiao, C. Nuckolls, L. Venkataraman, G.C. Solomon, Journal of
the American Chemical Society 141 (2019) 15471–15476.
date_created: 2024-09-09T07:42:26Z
date_published: 2019-09-10T00:00:00Z
date_updated: 2024-12-10T12:39:27Z
day: '10'
doi: 10.1021/jacs.9b06965
extern: '1'
external_id:
pmid:
- '31500410'
intvolume: ' 141'
issue: '39'
language:
- iso: eng
month: '09'
oa_version: None
page: 15471-15476
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Permethylation introduces destructive quantum interference in saturated silanes
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 141
year: '2019'
...
---
OA_type: closed access
_id: '21822'
abstract:
- lang: eng
text: A novel library of tunable negative photochromic compounds, donor–acceptor
Stenhouse adducts (DASAs), is reported. Tailoring the electron deficient “acceptor”
moiety yielded DASAs that can be activated with mild visible and far red light.
The effect of acceptor composition on reactivity, absorption, equilibrium, and
cyclability is exploited for the design of high performance photoswitches. The
structural changes to the carbon acid acceptor also provide access to new, more
structurally diverse DASA derivatives by facilitating the ring-opening reaction
with electron deficient amine donors.
article_processing_charge: No
article_type: original
author:
- first_name: James R.
full_name: Hemmer, James R.
last_name: Hemmer
- first_name: Zachariah A.
full_name: Page, Zachariah A.
last_name: Page
- first_name: Kyle D.
full_name: Clark, Kyle D.
last_name: Clark
- first_name: Friedrich J
full_name: Stricker, Friedrich J
id: 7aca2cfc-46cf-11f0-abd3-8c96b5186745
last_name: Stricker
- first_name: Neil D.
full_name: Dolinski, Neil D.
last_name: Dolinski
- first_name: Craig J.
full_name: Hawker, Craig J.
last_name: Hawker
- first_name: Javier
full_name: Read de Alaniz, Javier
last_name: Read de Alaniz
citation:
ama: Hemmer JR, Page ZA, Clark KD, et al. Controlling dark equilibria and enhancing
donor–acceptor Stenhouse adduct photoswitching properties through carbon acid
design. Journal of the American Chemical Society. 2018;140(33):10425-10429.
doi:10.1021/jacs.8b06067
apa: Hemmer, J. R., Page, Z. A., Clark, K. D., Stricker, F. J., Dolinski, N. D.,
Hawker, C. J., & Read de Alaniz, J. (2018). Controlling dark equilibria and
enhancing donor–acceptor Stenhouse adduct photoswitching properties through carbon
acid design. Journal of the American Chemical Society. American Chemical
Society. https://doi.org/10.1021/jacs.8b06067
chicago: Hemmer, James R., Zachariah A. Page, Kyle D. Clark, Friedrich J Stricker,
Neil D. Dolinski, Craig J. Hawker, and Javier Read de Alaniz. “Controlling Dark
Equilibria and Enhancing Donor–Acceptor Stenhouse Adduct Photoswitching Properties
through Carbon Acid Design.” Journal of the American Chemical Society.
American Chemical Society, 2018. https://doi.org/10.1021/jacs.8b06067.
ieee: J. R. Hemmer et al., “Controlling dark equilibria and enhancing donor–acceptor
Stenhouse adduct photoswitching properties through carbon acid design,” Journal
of the American Chemical Society, vol. 140, no. 33. American Chemical Society,
pp. 10425–10429, 2018.
ista: Hemmer JR, Page ZA, Clark KD, Stricker FJ, Dolinski ND, Hawker CJ, Read de
Alaniz J. 2018. Controlling dark equilibria and enhancing donor–acceptor Stenhouse
adduct photoswitching properties through carbon acid design. Journal of the American
Chemical Society. 140(33), 10425–10429.
mla: Hemmer, James R., et al. “Controlling Dark Equilibria and Enhancing Donor–Acceptor
Stenhouse Adduct Photoswitching Properties through Carbon Acid Design.” Journal
of the American Chemical Society, vol. 140, no. 33, American Chemical Society,
2018, pp. 10425–29, doi:10.1021/jacs.8b06067.
short: J.R. Hemmer, Z.A. Page, K.D. Clark, F.J. Stricker, N.D. Dolinski, C.J. Hawker,
J. Read de Alaniz, Journal of the American Chemical Society 140 (2018) 10425–10429.
date_created: 2026-05-06T10:58:29Z
date_published: 2018-08-03T00:00:00Z
date_updated: 2026-05-11T08:46:52Z
day: '03'
ddc:
- '540'
doi: 10.1021/jacs.8b06067
extern: '1'
external_id:
pmid:
- '30074782'
intvolume: ' 140'
issue: '33'
language:
- iso: eng
month: '08'
oa_version: None
page: 10425-10429
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Controlling dark equilibria and enhancing donor–acceptor Stenhouse adduct photoswitching
properties through carbon acid design
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 140
year: '2018'
...
---
OA_type: closed access
_id: '17927'
abstract:
- lang: eng
text: Linear silanes are efficient molecular wires due to strong σ-conjugation in
the transoid conformation; however, the structure–function relationship for the
conformational dependence of the single-molecule conductance of silanes remains
untested. Here we report the syntheses, electrical measurements, and theoretical
characterization of four series of functionalized cyclic and bicyclic silanes
including a cyclotetrasilane, a cyclopentasilane, a bicyclo[2.2.1]heptasilane,
and a bicyclo[2.2.2]octasilane, which are all extended by linear silicon linkers
of varying length. We find an unusual variation of the single-molecule conductance
among the four series at each linker length. We determine the relative conductance
of the (bi)cyclic silicon structures by using the common length dependence of
the four series rather than comparing the conductance at a single length. In contrast
with the cyclic π-conjugated molecules, the conductance of σ-conjugated (bi)cyclic
silanes is dominated by a single path through the molecule and is controlled by
the dihedral angles along this path. This strong sensitivity to molecular conformation
dictates the single-molecule conductance of σ-conjugated silanes and allows for
systematic control of the conductance through molecular design.
article_processing_charge: No
article_type: original
author:
- first_name: Haixing
full_name: Li, Haixing
last_name: Li
- first_name: Marc H.
full_name: Garner, Marc H.
last_name: Garner
- first_name: Zhichun
full_name: Shangguan, Zhichun
last_name: Shangguan
- first_name: Yan
full_name: Chen, Yan
last_name: Chen
- first_name: Qianwen
full_name: Zheng, Qianwen
last_name: Zheng
- first_name: Timothy A.
full_name: Su, Timothy A.
last_name: Su
- first_name: Madhav
full_name: Neupane, Madhav
last_name: Neupane
- first_name: Taifeng
full_name: Liu, Taifeng
last_name: Liu
- first_name: Michael L.
full_name: Steigerwald, Michael L.
last_name: Steigerwald
- first_name: Fay
full_name: Ng, Fay
last_name: Ng
- first_name: Colin
full_name: Nuckolls, Colin
last_name: Nuckolls
- first_name: Shengxiong
full_name: Xiao, Shengxiong
last_name: Xiao
- first_name: Gemma C.
full_name: Solomon, Gemma C.
last_name: Solomon
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Li H, Garner MH, Shangguan Z, et al. Large variations in the single-molecule
conductance of cyclic and bicyclic silanes. Journal of the American Chemical
Society. 2018;140(44):15080-15088. doi:10.1021/jacs.8b10296
apa: Li, H., Garner, M. H., Shangguan, Z., Chen, Y., Zheng, Q., Su, T. A., … Venkataraman,
L. (2018). Large variations in the single-molecule conductance of cyclic and bicyclic
silanes. Journal of the American Chemical Society. American Chemical Society.
https://doi.org/10.1021/jacs.8b10296
chicago: Li, Haixing, Marc H. Garner, Zhichun Shangguan, Yan Chen, Qianwen Zheng,
Timothy A. Su, Madhav Neupane, et al. “Large Variations in the Single-Molecule
Conductance of Cyclic and Bicyclic Silanes.” Journal of the American Chemical
Society. American Chemical Society, 2018. https://doi.org/10.1021/jacs.8b10296.
ieee: H. Li et al., “Large variations in the single-molecule conductance
of cyclic and bicyclic silanes,” Journal of the American Chemical Society,
vol. 140, no. 44. American Chemical Society, pp. 15080–15088, 2018.
ista: Li H, Garner MH, Shangguan Z, Chen Y, Zheng Q, Su TA, Neupane M, Liu T, Steigerwald
ML, Ng F, Nuckolls C, Xiao S, Solomon GC, Venkataraman L. 2018. Large variations
in the single-molecule conductance of cyclic and bicyclic silanes. Journal of
the American Chemical Society. 140(44), 15080–15088.
mla: Li, Haixing, et al. “Large Variations in the Single-Molecule Conductance of
Cyclic and Bicyclic Silanes.” Journal of the American Chemical Society,
vol. 140, no. 44, American Chemical Society, 2018, pp. 15080–88, doi:10.1021/jacs.8b10296.
short: H. Li, M.H. Garner, Z. Shangguan, Y. Chen, Q. Zheng, T.A. Su, M. Neupane,
T. Liu, M.L. Steigerwald, F. Ng, C. Nuckolls, S. Xiao, G.C. Solomon, L. Venkataraman,
Journal of the American Chemical Society 140 (2018) 15080–15088.
date_created: 2024-09-09T07:53:50Z
date_published: 2018-10-17T00:00:00Z
date_updated: 2024-12-11T08:21:09Z
day: '17'
doi: 10.1021/jacs.8b10296
extern: '1'
external_id:
pmid:
- '30372051'
intvolume: ' 140'
issue: '44'
language:
- iso: eng
month: '10'
oa_version: None
page: 15080-15088
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Large variations in the single-molecule conductance of cyclic and bicyclic
silanes
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 140
year: '2018'
...