[{"publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"quality_controlled":"1","month":"10","article_type":"original","type":"journal_article","external_id":{"pmid":["30280891"]},"doi":"10.1021/jacs.8b06964","volume":140,"publisher":"American Chemical Society","citation":{"mla":"Zang, Yaping, et al. “Resonant Transport in Single Diketopyrrolopyrrole Junctions.” <i>Journal of the American Chemical Society</i>, vol. 140, no. 41, American Chemical Society, 2018, pp. 13167–70, doi:<a href=\"https://doi.org/10.1021/jacs.8b06964\">10.1021/jacs.8b06964</a>.","apa":"Zang, Y., Ray, S., Fung, E.-D., Borges, A., Garner, M. H., Steigerwald, M. L., … Venkataraman, L. (2018). Resonant transport in single diketopyrrolopyrrole junctions. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/jacs.8b06964\">https://doi.org/10.1021/jacs.8b06964</a>","short":"Y. Zang, S. Ray, E.-D. Fung, A. Borges, M.H. Garner, M.L. Steigerwald, G.C. Solomon, S. Patil, L. Venkataraman, Journal of the American Chemical Society 140 (2018) 13167–13170.","ama":"Zang Y, Ray S, Fung E-D, et al. Resonant transport in single diketopyrrolopyrrole junctions. <i>Journal of the American Chemical Society</i>. 2018;140(41):13167-13170. doi:<a href=\"https://doi.org/10.1021/jacs.8b06964\">10.1021/jacs.8b06964</a>","ista":"Zang Y, Ray S, Fung E-D, Borges A, Garner MH, Steigerwald ML, Solomon GC, Patil S, Venkataraman L. 2018. Resonant transport in single diketopyrrolopyrrole junctions. Journal of the American Chemical Society. 140(41), 13167–13170.","chicago":"Zang, Yaping, Suman Ray, E-Dean Fung, Anders Borges, Marc H. Garner, Michael L. Steigerwald, Gemma C. Solomon, Satish Patil, and Latha Venkataraman. “Resonant Transport in Single Diketopyrrolopyrrole Junctions.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2018. <a href=\"https://doi.org/10.1021/jacs.8b06964\">https://doi.org/10.1021/jacs.8b06964</a>.","ieee":"Y. Zang <i>et al.</i>, “Resonant transport in single diketopyrrolopyrrole junctions,” <i>Journal of the American Chemical Society</i>, vol. 140, no. 41. American Chemical Society, pp. 13167–13170, 2018."},"issue":"41","intvolume":"       140","date_published":"2018-10-03T00:00:00Z","day":"03","article_processing_charge":"No","author":[{"last_name":"Zang","first_name":"Yaping","full_name":"Zang, Yaping"},{"full_name":"Ray, Suman","first_name":"Suman","last_name":"Ray"},{"last_name":"Fung","first_name":"E-Dean","full_name":"Fung, E-Dean"},{"last_name":"Borges","first_name":"Anders","full_name":"Borges, Anders"},{"last_name":"Garner","first_name":"Marc H.","full_name":"Garner, Marc H."},{"first_name":"Michael L.","last_name":"Steigerwald","full_name":"Steigerwald, Michael L."},{"full_name":"Solomon, Gemma C.","first_name":"Gemma C.","last_name":"Solomon"},{"first_name":"Satish","last_name":"Patil","full_name":"Patil, Satish"},{"orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","first_name":"Latha","last_name":"Venkataraman","full_name":"Venkataraman, Latha"}],"publication":"Journal of the American Chemical Society","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","language":[{"iso":"eng"}],"title":"Resonant transport in single diketopyrrolopyrrole junctions","_id":"17928","status":"public","abstract":[{"text":"We study the single-molecule transport properties of small bandgap diketopyrrolopyrrole oligomers (DPPn, n = 1–4) with lengths varying from 1 to 5 nm. At a low bias voltage, the conductance decays exponentially as a function of length indicative of nonresonant transport. However, at a high bias voltage, we observe a remarkably high conductance close to 10–2 G0 with currents reaching over 0.1 μA across all four oligomers. These unique transport properties, together with density functional theory-based transport calculations, suggest a mechanism of resonant transport across the highly delocalized DPP backbones in the high bias regime. This study thus demonstrates the unique properties of diketopyrrolopyrrole derivatives in achieving highly efficient long-range charge transport in single-molecule devices.","lang":"eng"}],"date_created":"2024-09-09T07:55:19Z","extern":"1","pmid":1,"year":"2018","page":"13167-13170","publication_status":"published","OA_type":"closed access","oa_version":"None","scopus_import":"1","date_updated":"2024-12-11T08:36:50Z"},{"_id":"17930","status":"public","title":"In situ formation of N-heterocyclic carbene-bound single-molecule junctions","extern":"1","abstract":[{"lang":"eng","text":"Self-assembled monolayers (SAMs) formed using N-heterocyclic carbenes (NHCs) have recently emerged as thermally and chemically ultrastable alternatives to those formed from thiols. The rich chemistry and strong σ-donating ability of NHCs offer unique prospects for applications in nanoelectronics, sensing, and electrochemistry. Although stable in SAMs, free carbenes are notoriously reactive, making their electronic characterization challenging. Here we report the first investigation of electron transport across single NHC-bound molecules using the scanning tunneling microscope-based break junction (STM-BJ) technique. We develop a series of air-stable metal NHC complexes that can be electrochemically reduced in situ to form NHC–electrode contacts, enabling reliable single-molecule conductance measurements of NHCs under ambient conditions. Using this approach, we show that the conductance of an NHC depends on the identity of the single metal atom to which it is coordinated in the junction. Our observations are supported by density functional theory (DFT) calculations, which also firmly establish the contributions of the NHC linker to the junction transport characteristics. Our work demonstrates a powerful method to probe electron transfer across NHC–electrode interfaces; more generally, it opens the door to the exploitation of surface-bound NHCs in constructing novel, functionalized electrodes and/or nanoelectronic devices."}],"date_created":"2024-09-09T08:14:38Z","oa":1,"oa_version":"Published Version","scopus_import":"1","date_updated":"2024-12-11T08:42:51Z","year":"2018","pmid":1,"page":"8944-8949","publication_status":"published","OA_type":"free access","type":"journal_article","external_id":{"pmid":["29969027"]},"doi":"10.1021/jacs.8b05184","volume":140,"publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]},"article_type":"original","quality_controlled":"1","month":"07","author":[{"full_name":"Doud, Evan A.","first_name":"Evan A.","last_name":"Doud"},{"first_name":"Michael S.","last_name":"Inkpen","full_name":"Inkpen, Michael S."},{"full_name":"Lovat, Giacomo","last_name":"Lovat","first_name":"Giacomo"},{"full_name":"Montes, Enrique","last_name":"Montes","first_name":"Enrique"},{"last_name":"Paley","first_name":"Daniel W.","full_name":"Paley, Daniel W."},{"first_name":"Michael L.","last_name":"Steigerwald","full_name":"Steigerwald, Michael L."},{"full_name":"Vázquez, Héctor","last_name":"Vázquez","first_name":"Héctor"},{"full_name":"Venkataraman, Latha","last_name":"Venkataraman","first_name":"Latha","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","orcid":"0000-0002-6957-6089"},{"last_name":"Roy","first_name":"Xavier","full_name":"Roy, Xavier"}],"OA_place":"publisher","language":[{"iso":"eng"}],"publication":"Journal of the American Chemical Society","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","issue":"28","intvolume":"       140","publisher":"American Chemical Society","citation":{"mla":"Doud, Evan A., et al. “In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.” <i>Journal of the American Chemical Society</i>, vol. 140, no. 28, American Chemical Society, 2018, pp. 8944–49, doi:<a href=\"https://doi.org/10.1021/jacs.8b05184\">10.1021/jacs.8b05184</a>.","apa":"Doud, E. A., Inkpen, M. S., Lovat, G., Montes, E., Paley, D. W., Steigerwald, M. L., … Roy, X. (2018). In situ formation of N-heterocyclic carbene-bound single-molecule junctions. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/jacs.8b05184\">https://doi.org/10.1021/jacs.8b05184</a>","short":"E.A. Doud, M.S. Inkpen, G. Lovat, E. Montes, D.W. Paley, M.L. Steigerwald, H. Vázquez, L. Venkataraman, X. Roy, Journal of the American Chemical Society 140 (2018) 8944–8949.","ama":"Doud EA, Inkpen MS, Lovat G, et al. In situ formation of N-heterocyclic carbene-bound single-molecule junctions. <i>Journal of the American Chemical Society</i>. 2018;140(28):8944-8949. doi:<a href=\"https://doi.org/10.1021/jacs.8b05184\">10.1021/jacs.8b05184</a>","ieee":"E. A. Doud <i>et al.</i>, “In situ formation of N-heterocyclic carbene-bound single-molecule junctions,” <i>Journal of the American Chemical Society</i>, vol. 140, no. 28. American Chemical Society, pp. 8944–8949, 2018.","chicago":"Doud, Evan A., Michael S. Inkpen, Giacomo Lovat, Enrique Montes, Daniel W. Paley, Michael L. Steigerwald, Héctor Vázquez, Latha Venkataraman, and Xavier Roy. “In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2018. <a href=\"https://doi.org/10.1021/jacs.8b05184\">https://doi.org/10.1021/jacs.8b05184</a>.","ista":"Doud EA, Inkpen MS, Lovat G, Montes E, Paley DW, Steigerwald ML, Vázquez H, Venkataraman L, Roy X. 2018. In situ formation of N-heterocyclic carbene-bound single-molecule junctions. Journal of the American Chemical Society. 140(28), 8944–8949."},"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1021/jacs.8b05184"}],"day":"03","date_published":"2018-07-03T00:00:00Z","article_processing_charge":"No"},{"month":"12","quality_controlled":"1","article_type":"original","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]},"volume":139,"doi":"10.1021/jacs.7b09111","external_id":{"pmid":["29193964"]},"type":"journal_article","article_processing_charge":"No","date_published":"2017-12-01T00:00:00Z","day":"01","citation":{"apa":"Sawczyk, M., &#38; Klajn, R. (2017). Out-of-equilibrium aggregates and coatings during seeded growth of metallic nanoparticles. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/jacs.7b09111\">https://doi.org/10.1021/jacs.7b09111</a>","mla":"Sawczyk, Michał, and Rafal Klajn. “Out-of-Equilibrium Aggregates and Coatings during Seeded Growth of Metallic Nanoparticles.” <i>Journal of the American Chemical Society</i>, vol. 139, no. 49, American Chemical Society, 2017, pp. 17973–78, doi:<a href=\"https://doi.org/10.1021/jacs.7b09111\">10.1021/jacs.7b09111</a>.","ista":"Sawczyk M, Klajn R. 2017. Out-of-equilibrium aggregates and coatings during seeded growth of metallic nanoparticles. Journal of the American Chemical Society. 139(49), 17973–17978.","ieee":"M. Sawczyk and R. Klajn, “Out-of-equilibrium aggregates and coatings during seeded growth of metallic nanoparticles,” <i>Journal of the American Chemical Society</i>, vol. 139, no. 49. American Chemical Society, pp. 17973–17978, 2017.","chicago":"Sawczyk, Michał, and Rafal Klajn. “Out-of-Equilibrium Aggregates and Coatings during Seeded Growth of Metallic Nanoparticles.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2017. <a href=\"https://doi.org/10.1021/jacs.7b09111\">https://doi.org/10.1021/jacs.7b09111</a>.","ama":"Sawczyk M, Klajn R. Out-of-equilibrium aggregates and coatings during seeded growth of metallic nanoparticles. <i>Journal of the American Chemical Society</i>. 2017;139(49):17973-17978. doi:<a href=\"https://doi.org/10.1021/jacs.7b09111\">10.1021/jacs.7b09111</a>","short":"M. Sawczyk, R. Klajn, Journal of the American Chemical Society 139 (2017) 17973–17978."},"publisher":"American Chemical Society","intvolume":"       139","issue":"49","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication":"Journal of the American Chemical Society","language":[{"iso":"eng"}],"keyword":["Colloid and Surface Chemistry","Biochemistry","General Chemistry","Catalysis"],"author":[{"first_name":"Michał","last_name":"Sawczyk","full_name":"Sawczyk, Michał"},{"full_name":"Klajn, Rafal","last_name":"Klajn","first_name":"Rafal","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b"}],"date_created":"2023-08-01T09:41:01Z","abstract":[{"lang":"eng","text":"Although dissipative self-assembly is ubiquitous in nature, where it gives rise to structures and functions critical to life, examples of artificial systems featuring this mode of self-assembly are rare. Here, we identify the presence of ephemeral assemblies during seeded growth of gold nanoparticles. In this process, hydrazine reduces Au(III) ions, which attach to the existing nanoparticles “seeds”. The attachment is accompanied by a local increase in the concentration of a surfactant, which therefore forms a bilayer on nanoparticle surfaces, inducing their assembly. The resulting aggregates gradually disassemble as the surfactant concentration throughout the solution equilibrates. The lifetimes of the out-of-equilibrium aggregates depend on and can be controlled by the size of the constituent nanoparticles. We demonstrate the utility of our out-of-equilibrium aggregates to form transient reflective coatings on polar surfaces."}],"extern":"1","title":"Out-of-equilibrium aggregates and coatings during seeded growth of metallic nanoparticles","_id":"13380","status":"public","page":"17973-17978","publication_status":"published","pmid":1,"year":"2017","date_updated":"2024-10-14T12:15:25Z","scopus_import":"1","oa_version":"None"},{"_id":"17939","status":"public","title":"Electronically transparent Au–N bonds for molecular junctions","extern":"1","date_created":"2024-09-09T08:47:04Z","abstract":[{"text":"We report a series of single-molecule transport measurements carried out in an ionic environment with oligophenylenediamine wires. These molecules exhibit three discrete conducting states accessed by electrochemically modifying the contacts. Transport in these junctions is defined by the oligophenylene backbone, but the conductance is increased by factors of ∼20 and ∼400 when compared to traditional dative junctions. We propose that the higher-conducting states arise from in situ electrochemical conversion of the dative Au←N bond into a new type of Au–N contact. Density functional theory-based transport calculations establish that the new contacts dramatically increase the electronic coupling of the oligophenylene backbone to the Au electrodes, consistent with experimental transport data. The resulting contact resistance is the lowest reported to date; more generally, our work demonstrates a facile method for creating electronically transparent metal–organic interfaces.","lang":"eng"}],"year":"2017","pmid":1,"OA_type":"closed access","publication_status":"published","page":"14845-14848","oa_version":"None","scopus_import":"1","date_updated":"2024-12-17T10:13:56Z","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"article_type":"letter_note","month":"10","quality_controlled":"1","external_id":{"pmid":["28981277"]},"type":"journal_article","volume":139,"doi":"10.1021/jacs.7b08370","intvolume":"       139","issue":"42","citation":{"apa":"Zang, Y., Pinkard, A., Liu, Z.-F., Neaton, J. B., Steigerwald, M. L., Roy, X., &#38; Venkataraman, L. (2017). Electronically transparent Au–N bonds for molecular junctions. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/jacs.7b08370\">https://doi.org/10.1021/jacs.7b08370</a>","mla":"Zang, Yaping, et al. “Electronically Transparent Au–N Bonds for Molecular Junctions.” <i>Journal of the American Chemical Society</i>, vol. 139, no. 42, American Chemical Society, 2017, pp. 14845–48, doi:<a href=\"https://doi.org/10.1021/jacs.7b08370\">10.1021/jacs.7b08370</a>.","short":"Y. Zang, A. Pinkard, Z.-F. Liu, J.B. Neaton, M.L. Steigerwald, X. Roy, L. Venkataraman, Journal of the American Chemical Society 139 (2017) 14845–14848.","chicago":"Zang, Yaping, Andrew Pinkard, Zhen-Fei Liu, Jeffrey B. Neaton, Michael L. Steigerwald, Xavier Roy, and Latha Venkataraman. “Electronically Transparent Au–N Bonds for Molecular Junctions.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2017. <a href=\"https://doi.org/10.1021/jacs.7b08370\">https://doi.org/10.1021/jacs.7b08370</a>.","ieee":"Y. Zang <i>et al.</i>, “Electronically transparent Au–N bonds for molecular junctions,” <i>Journal of the American Chemical Society</i>, vol. 139, no. 42. American Chemical Society, pp. 14845–14848, 2017.","ista":"Zang Y, Pinkard A, Liu Z-F, Neaton JB, Steigerwald ML, Roy X, Venkataraman L. 2017. Electronically transparent Au–N bonds for molecular junctions. Journal of the American Chemical Society. 139(42), 14845–14848.","ama":"Zang Y, Pinkard A, Liu Z-F, et al. Electronically transparent Au–N bonds for molecular junctions. <i>Journal of the American Chemical Society</i>. 2017;139(42):14845-14848. doi:<a href=\"https://doi.org/10.1021/jacs.7b08370\">10.1021/jacs.7b08370</a>"},"publisher":"American Chemical Society","article_processing_charge":"No","date_published":"2017-10-05T00:00:00Z","day":"05","author":[{"first_name":"Yaping","last_name":"Zang","full_name":"Zang, Yaping"},{"first_name":"Andrew","last_name":"Pinkard","full_name":"Pinkard, Andrew"},{"full_name":"Liu, Zhen-Fei","last_name":"Liu","first_name":"Zhen-Fei"},{"full_name":"Neaton, Jeffrey B.","first_name":"Jeffrey B.","last_name":"Neaton"},{"first_name":"Michael L.","last_name":"Steigerwald","full_name":"Steigerwald, Michael L."},{"full_name":"Roy, Xavier","last_name":"Roy","first_name":"Xavier"},{"orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","last_name":"Venkataraman","first_name":"Latha","full_name":"Venkataraman, Latha"}],"language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication":"Journal of the American Chemical Society"},{"extern":"1","abstract":[{"text":"Single-molecule conductance studies have traditionally focused on creating highly conducting molecular wires. However, progress in nanoscale electronics demands insulators just as it needs conductors. Here we describe the single-molecule length-dependent conductance properties of the classic silicon dioxide insulator. We synthesize molecular wires consisting of Si–O repeat units and measure their conductance through the scanning tunneling microscope-based break-junction method. These molecules yield conductance lower than alkanes of the same length and the largest length-dependent conductance decay of any molecular systems measured to date. We calculate single-molecule junction transmission and the complex band structure of the infinite 1D material for siloxane, in comparison with silane and alkane, and show that the large conductance decay is intrinsic to the nature of the Si–O bond. This work highlights the potential for siloxanes to function as molecular insulators in electronics.","lang":"eng"}],"date_created":"2024-09-09T08:48:28Z","status":"public","_id":"17940","title":"Extreme conductance suppression in molecular siloxanes","date_updated":"2024-12-18T07:27:18Z","scopus_import":"1","oa_version":"None","page":"10212-10215","publication_status":"published","OA_type":"closed access","year":"2017","pmid":1,"doi":"10.1021/jacs.7b05599","volume":139,"type":"journal_article","external_id":{"pmid":["28702995"]},"article_type":"original","quality_controlled":"1","month":"07","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","language":[{"iso":"eng"}],"publication":"Journal of the American Chemical Society","author":[{"last_name":"Li","first_name":"Haixing","full_name":"Li, Haixing"},{"full_name":"Garner, Marc H.","first_name":"Marc H.","last_name":"Garner"},{"full_name":"Su, Timothy A.","first_name":"Timothy A.","last_name":"Su"},{"full_name":"Jensen, Anders","last_name":"Jensen","first_name":"Anders"},{"full_name":"Inkpen, Michael S.","last_name":"Inkpen","first_name":"Michael S."},{"full_name":"Steigerwald, Michael L.","first_name":"Michael L.","last_name":"Steigerwald"},{"id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha","last_name":"Venkataraman","first_name":"Latha"},{"full_name":"Solomon, Gemma C.","last_name":"Solomon","first_name":"Gemma C."},{"full_name":"Nuckolls, Colin","first_name":"Colin","last_name":"Nuckolls"}],"date_published":"2017-07-13T00:00:00Z","day":"13","article_processing_charge":"No","issue":"30","intvolume":"       139","publisher":"American Chemical Society","citation":{"apa":"Li, H., Garner, M. H., Su, T. A., Jensen, A., Inkpen, M. S., Steigerwald, M. L., … Nuckolls, C. (2017). Extreme conductance suppression in molecular siloxanes. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/jacs.7b05599\">https://doi.org/10.1021/jacs.7b05599</a>","mla":"Li, Haixing, et al. “Extreme Conductance Suppression in Molecular Siloxanes.” <i>Journal of the American Chemical Society</i>, vol. 139, no. 30, American Chemical Society, 2017, pp. 10212–15, doi:<a href=\"https://doi.org/10.1021/jacs.7b05599\">10.1021/jacs.7b05599</a>.","chicago":"Li, Haixing, Marc H. Garner, Timothy A. Su, Anders Jensen, Michael S. Inkpen, Michael L. Steigerwald, Latha Venkataraman, Gemma C. Solomon, and Colin Nuckolls. “Extreme Conductance Suppression in Molecular Siloxanes.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2017. <a href=\"https://doi.org/10.1021/jacs.7b05599\">https://doi.org/10.1021/jacs.7b05599</a>.","ista":"Li H, Garner MH, Su TA, Jensen A, Inkpen MS, Steigerwald ML, Venkataraman L, Solomon GC, Nuckolls C. 2017. Extreme conductance suppression in molecular siloxanes. Journal of the American Chemical Society. 139(30), 10212–10215.","ieee":"H. Li <i>et al.</i>, “Extreme conductance suppression in molecular siloxanes,” <i>Journal of the American Chemical Society</i>, vol. 139, no. 30. American Chemical Society, pp. 10212–10215, 2017.","ama":"Li H, Garner MH, Su TA, et al. Extreme conductance suppression in molecular siloxanes. <i>Journal of the American Chemical Society</i>. 2017;139(30):10212-10215. doi:<a href=\"https://doi.org/10.1021/jacs.7b05599\">10.1021/jacs.7b05599</a>","short":"H. Li, M.H. Garner, T.A. Su, A. Jensen, M.S. Inkpen, M.L. Steigerwald, L. Venkataraman, G.C. Solomon, C. Nuckolls, Journal of the American Chemical Society 139 (2017) 10212–10215."}},{"date_updated":"2024-12-18T08:36:48Z","oa_version":"None","scopus_import":"1","publication_status":"published","page":"16159-16164","OA_type":"closed access","pmid":1,"year":"2016","abstract":[{"text":"The stability of chemical bonds can be studied experimentally by rupturing single molecule junctions under applied voltage. Here, we compare voltage-induced bond rupture in two Si–Si backbones: one has no alternate conductive pathway whereas the other contains an additional naphthyl pathway in parallel to the Si–Si bond. We show that in contrast to the first system, the second can conduct through the naphthyl group when the Si–Si bond is ruptured using an applied voltage. We investigate this voltage induced Si–Si bond rupture by ab initio density functional theory calculations and molecular dynamics simulations that ultimately demonstrate that the excitation of molecular vibrational modes by tunneling electrons leads to homolytic Si–Si bond rupture.","lang":"eng"}],"date_created":"2024-09-09T09:19:46Z","extern":"1","title":"Mechanism for Si–Si bond rupture in single molecule junctions","status":"public","_id":"17952","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","language":[{"iso":"eng"}],"publication":"Journal of the American Chemical Society","author":[{"full_name":"Li, Haixing","first_name":"Haixing","last_name":"Li"},{"last_name":"Kim","first_name":"Nathaniel T.","full_name":"Kim, Nathaniel T."},{"full_name":"Su, Timothy A.","last_name":"Su","first_name":"Timothy A."},{"full_name":"Steigerwald, Michael L.","first_name":"Michael L.","last_name":"Steigerwald"},{"full_name":"Nuckolls, Colin","first_name":"Colin","last_name":"Nuckolls"},{"full_name":"Darancet, Pierre","last_name":"Darancet","first_name":"Pierre"},{"first_name":"James L.","last_name":"Leighton","full_name":"Leighton, James L."},{"full_name":"Venkataraman, Latha","last_name":"Venkataraman","first_name":"Latha","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","orcid":"0000-0002-6957-6089"}],"date_published":"2016-11-18T00:00:00Z","day":"18","article_processing_charge":"No","publisher":"American Chemical Society","citation":{"apa":"Li, H., Kim, N. T., Su, T. A., Steigerwald, M. L., Nuckolls, C., Darancet, P., … Venkataraman, L. (2016). Mechanism for Si–Si bond rupture in single molecule junctions. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/jacs.6b10700\">https://doi.org/10.1021/jacs.6b10700</a>","mla":"Li, Haixing, et al. “Mechanism for Si–Si Bond Rupture in Single Molecule Junctions.” <i>Journal of the American Chemical Society</i>, vol. 138, no. 49, American Chemical Society, 2016, pp. 16159–64, doi:<a href=\"https://doi.org/10.1021/jacs.6b10700\">10.1021/jacs.6b10700</a>.","short":"H. Li, N.T. Kim, T.A. Su, M.L. Steigerwald, C. Nuckolls, P. Darancet, J.L. Leighton, L. Venkataraman, Journal of the American Chemical Society 138 (2016) 16159–16164.","ista":"Li H, Kim NT, Su TA, Steigerwald ML, Nuckolls C, Darancet P, Leighton JL, Venkataraman L. 2016. Mechanism for Si–Si bond rupture in single molecule junctions. Journal of the American Chemical Society. 138(49), 16159–16164.","ieee":"H. Li <i>et al.</i>, “Mechanism for Si–Si bond rupture in single molecule junctions,” <i>Journal of the American Chemical Society</i>, vol. 138, no. 49. American Chemical Society, pp. 16159–16164, 2016.","chicago":"Li, Haixing, Nathaniel T. Kim, Timothy A. Su, Michael L. Steigerwald, Colin Nuckolls, Pierre Darancet, James L. Leighton, and Latha Venkataraman. “Mechanism for Si–Si Bond Rupture in Single Molecule Junctions.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2016. <a href=\"https://doi.org/10.1021/jacs.6b10700\">https://doi.org/10.1021/jacs.6b10700</a>.","ama":"Li H, Kim NT, Su TA, et al. Mechanism for Si–Si bond rupture in single molecule junctions. <i>Journal of the American Chemical Society</i>. 2016;138(49):16159-16164. doi:<a href=\"https://doi.org/10.1021/jacs.6b10700\">10.1021/jacs.6b10700</a>"},"issue":"49","intvolume":"       138","doi":"10.1021/jacs.6b10700","volume":138,"type":"journal_article","external_id":{"pmid":["27960303"]},"quality_controlled":"1","month":"11","article_type":"original","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]}},{"author":[{"full_name":"Kim, Nathaniel T.","last_name":"Kim","first_name":"Nathaniel T."},{"first_name":"Haixing","last_name":"Li","full_name":"Li, Haixing"},{"id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha","last_name":"Venkataraman","first_name":"Latha"},{"first_name":"James L.","last_name":"Leighton","full_name":"Leighton, James L."}],"language":[{"iso":"eng"}],"publication":"Journal of the American Chemical Society","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"ama":"Kim NT, Li H, Venkataraman L, Leighton JL. High-conductance pathways in ring-strained disilanes by qay of direct σ-Si–Si to Au coordination. <i>Journal of the American Chemical Society</i>. 2016;138(36):11505-11508. doi:<a href=\"https://doi.org/10.1021/jacs.6b07825\">10.1021/jacs.6b07825</a>","ista":"Kim NT, Li H, Venkataraman L, Leighton JL. 2016. High-conductance pathways in ring-strained disilanes by qay of direct σ-Si–Si to Au coordination. Journal of the American Chemical Society. 138(36), 11505–11508.","ieee":"N. T. Kim, H. Li, L. Venkataraman, and J. L. Leighton, “High-conductance pathways in ring-strained disilanes by qay of direct σ-Si–Si to Au coordination,” <i>Journal of the American Chemical Society</i>, vol. 138, no. 36. American Chemical Society, pp. 11505–11508, 2016.","chicago":"Kim, Nathaniel T., Haixing Li, Latha Venkataraman, and James L. Leighton. “High-Conductance Pathways in Ring-Strained Disilanes by Qay of Direct σ-Si–Si to Au Coordination.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2016. <a href=\"https://doi.org/10.1021/jacs.6b07825\">https://doi.org/10.1021/jacs.6b07825</a>.","short":"N.T. Kim, H. Li, L. Venkataraman, J.L. Leighton, Journal of the American Chemical Society 138 (2016) 11505–11508.","mla":"Kim, Nathaniel T., et al. “High-Conductance Pathways in Ring-Strained Disilanes by Qay of Direct σ-Si–Si to Au Coordination.” <i>Journal of the American Chemical Society</i>, vol. 138, no. 36, American Chemical Society, 2016, pp. 11505–08, doi:<a href=\"https://doi.org/10.1021/jacs.6b07825\">10.1021/jacs.6b07825</a>.","apa":"Kim, N. T., Li, H., Venkataraman, L., &#38; Leighton, J. L. (2016). High-conductance pathways in ring-strained disilanes by qay of direct σ-Si–Si to Au coordination. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/jacs.6b07825\">https://doi.org/10.1021/jacs.6b07825</a>"},"publisher":"American Chemical Society","intvolume":"       138","issue":"36","article_processing_charge":"No","day":"26","date_published":"2016-08-26T00:00:00Z","external_id":{"pmid":["27563932"]},"type":"journal_article","volume":138,"doi":"10.1021/jacs.6b07825","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"month":"08","quality_controlled":"1","article_type":"original","oa_version":"None","scopus_import":"1","date_updated":"2024-12-18T08:53:39Z","pmid":1,"year":"2016","OA_type":"closed access","page":"11505-11508","publication_status":"published","title":"High-conductance pathways in ring-strained disilanes by qay of direct σ-Si–Si to Au coordination","_id":"17956","status":"public","date_created":"2024-09-09T09:25:25Z","abstract":[{"text":"A highly conducting electronic contact between a strained disilane and Au is demonstrated through scanning tunneling microscope-based single-molecule measurements. Conformationally locked cis diastereomers of bis(sulfide)-anchor-equipped 1,2-disilaacenaphthenes readily form high-conducting junctions in which the two sulfide anchors bind in a bipodal fashion to one gold electrode, providing enough stability for a stable electrical contact between the Si–Si σ bond and the other electrode.","lang":"eng"}],"extern":"1"},{"date_updated":"2024-12-18T08:56:43Z","oa_version":"None","scopus_import":"1","page":"7791-7795","publication_status":"published","OA_type":"closed access","pmid":1,"year":"2016","abstract":[{"lang":"eng","text":"While the single-molecule conductance properties of π-conjugated and σ-conjugated systems have been well-studied, little is known regarding the conductance properties of mixed σ–π backbone wires and the factors that control their transport properties. Here we utilize a scanning tunneling microscope-based break-junction technique to study a series of molecular wires with π–σ–π backbone structures, where the π-moiety is an electrode-binding thioanisole ring and the σ-moiety is a triatomic α–β–α chain composed of C, Si, or Ge atoms. We find that the sequence and composition of group 14 atoms in the α–β–α chain dictates whether electronic communication between the aryl rings is enhanced or suppressed. Placing heavy atoms at the α-position decreases conductance, whereas placing them at the β-position increases conductance: for example, the C–Ge–C sequence is over 20 times more conductive than the Ge–C–Ge sequence. Density functional theory calculations reveal that these conductance trends arise from periodic trends (i.e., atomic size, polarizability, and electronegativity) that differ from C to Si to Ge. The periodic trends that control molecular conductance here are the same ones that give rise to the α and β silicon effects from physical organic chemistry. These findings outline a new molecular design concept for tuning conductance in single-molecule electrical devices."}],"date_created":"2024-09-09T09:26:50Z","extern":"1","title":"Tuning conductance in π–σ–π single-molecule wires","status":"public","_id":"17957","publication":"Journal of the American Chemical Society","language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"first_name":"Timothy A.","last_name":"Su","full_name":"Su, Timothy A."},{"last_name":"Li","first_name":"Haixing","full_name":"Li, Haixing"},{"last_name":"Klausen","first_name":"Rebekka S.","full_name":"Klausen, Rebekka S."},{"full_name":"Widawsky, Jonathan R.","last_name":"Widawsky","first_name":"Jonathan R."},{"last_name":"Batra","first_name":"Arunabh","full_name":"Batra, Arunabh"},{"full_name":"Steigerwald, Michael L.","last_name":"Steigerwald","first_name":"Michael L."},{"full_name":"Venkataraman, Latha","last_name":"Venkataraman","first_name":"Latha","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","orcid":"0000-0002-6957-6089"},{"full_name":"Nuckolls, Colin","last_name":"Nuckolls","first_name":"Colin"}],"date_published":"2016-06-14T00:00:00Z","day":"14","article_processing_charge":"No","publisher":"American Chemical Society","citation":{"ama":"Su TA, Li H, Klausen RS, et al. Tuning conductance in π–σ–π single-molecule wires. <i>Journal of the American Chemical Society</i>. 2016;138(24):7791-7795. doi:<a href=\"https://doi.org/10.1021/jacs.6b04394\">10.1021/jacs.6b04394</a>","ista":"Su TA, Li H, Klausen RS, Widawsky JR, Batra A, Steigerwald ML, Venkataraman L, Nuckolls C. 2016. Tuning conductance in π–σ–π single-molecule wires. Journal of the American Chemical Society. 138(24), 7791–7795.","ieee":"T. A. Su <i>et al.</i>, “Tuning conductance in π–σ–π single-molecule wires,” <i>Journal of the American Chemical Society</i>, vol. 138, no. 24. American Chemical Society, pp. 7791–7795, 2016.","chicago":"Su, Timothy A., Haixing Li, Rebekka S. Klausen, Jonathan R. Widawsky, Arunabh Batra, Michael L. Steigerwald, Latha Venkataraman, and Colin Nuckolls. “Tuning Conductance in π–σ–π Single-Molecule Wires.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2016. <a href=\"https://doi.org/10.1021/jacs.6b04394\">https://doi.org/10.1021/jacs.6b04394</a>.","short":"T.A. Su, H. Li, R.S. Klausen, J.R. Widawsky, A. Batra, M.L. Steigerwald, L. Venkataraman, C. Nuckolls, Journal of the American Chemical Society 138 (2016) 7791–7795.","mla":"Su, Timothy A., et al. “Tuning Conductance in π–σ–π Single-Molecule Wires.” <i>Journal of the American Chemical Society</i>, vol. 138, no. 24, American Chemical Society, 2016, pp. 7791–95, doi:<a href=\"https://doi.org/10.1021/jacs.6b04394\">10.1021/jacs.6b04394</a>.","apa":"Su, T. A., Li, H., Klausen, R. S., Widawsky, J. R., Batra, A., Steigerwald, M. L., … Nuckolls, C. (2016). Tuning conductance in π–σ–π single-molecule wires. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/jacs.6b04394\">https://doi.org/10.1021/jacs.6b04394</a>"},"issue":"24","intvolume":"       138","doi":"10.1021/jacs.6b04394","volume":138,"type":"journal_article","external_id":{"pmid":["27299173"]},"quality_controlled":"1","month":"06","article_type":"original","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]}},{"title":"Single-molecule conductance in atomically precise Germanium wires","_id":"17968","status":"public","date_created":"2024-09-09T09:43:25Z","abstract":[{"lang":"eng","text":"While the electrical conductivity of bulk-scale group 14 materials such as diamond carbon, silicon, and germanium is well understood, there is a gap in knowledge regarding the conductivity of these materials at the nano and molecular scales. Filling this gap is important because integrated circuits have shrunk so far that their active regions, which rely so heavily on silicon and germanium, begin to resemble ornate molecules rather than extended solids. Here we unveil a new approach for synthesizing atomically discrete wires of germanium and present the first conductance measurements of molecular germanium using a scanning tunneling microscope-based break-junction (STM-BJ) technique. Our findings show that germanium and silicon wires are nearly identical in conductivity at the molecular scale, and that both are much more conductive than aliphatic carbon. We demonstrate that the strong donor ability of C–Ge σ-bonds can be used to raise the energy of the anchor lone pair and increase conductance. Furthermore, the oligogermane wires behave as conductance switches that function through stereoelectronic logic. These devices can be trained to operate with a higher switching factor by repeatedly compressing and elongating the molecular junction."}],"extern":"1","pmid":1,"year":"2015","OA_type":"closed access","publication_status":"published","page":"12400-12405","oa_version":"None","scopus_import":"1","date_updated":"2024-12-18T11:24:37Z","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]},"month":"09","quality_controlled":"1","article_type":"original","external_id":{"pmid":["26373928"]},"type":"journal_article","volume":137,"doi":"10.1021/jacs.5b08155","citation":{"mla":"Su, Timothy A., et al. “Single-Molecule Conductance in Atomically Precise Germanium Wires.” <i>Journal of the American Chemical Society</i>, vol. 137, no. 38, American Chemical Society, 2015, pp. 12400–05, doi:<a href=\"https://doi.org/10.1021/jacs.5b08155\">10.1021/jacs.5b08155</a>.","apa":"Su, T. A., Li, H., Zhang, V., Neupane, M., Batra, A., Klausen, R. S., … Nuckolls, C. (2015). Single-molecule conductance in atomically precise Germanium wires. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/jacs.5b08155\">https://doi.org/10.1021/jacs.5b08155</a>","short":"T.A. Su, H. Li, V. Zhang, M. Neupane, A. Batra, R.S. Klausen, B. Kumar, M.L. Steigerwald, L. Venkataraman, C. Nuckolls, Journal of the American Chemical Society 137 (2015) 12400–12405.","ama":"Su TA, Li H, Zhang V, et al. Single-molecule conductance in atomically precise Germanium wires. <i>Journal of the American Chemical Society</i>. 2015;137(38):12400-12405. doi:<a href=\"https://doi.org/10.1021/jacs.5b08155\">10.1021/jacs.5b08155</a>","ista":"Su TA, Li H, Zhang V, Neupane M, Batra A, Klausen RS, Kumar B, Steigerwald ML, Venkataraman L, Nuckolls C. 2015. Single-molecule conductance in atomically precise Germanium wires. Journal of the American Chemical Society. 137(38), 12400–12405.","ieee":"T. A. Su <i>et al.</i>, “Single-molecule conductance in atomically precise Germanium wires,” <i>Journal of the American Chemical Society</i>, vol. 137, no. 38. American Chemical Society, pp. 12400–12405, 2015.","chicago":"Su, Timothy A., Haixing Li, Vivian Zhang, Madhav Neupane, Arunabh Batra, Rebekka S. Klausen, Bharat Kumar, Michael L. Steigerwald, Latha Venkataraman, and Colin Nuckolls. “Single-Molecule Conductance in Atomically Precise Germanium Wires.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2015. <a href=\"https://doi.org/10.1021/jacs.5b08155\">https://doi.org/10.1021/jacs.5b08155</a>."},"publisher":"American Chemical Society","intvolume":"       137","issue":"38","article_processing_charge":"No","date_published":"2015-09-16T00:00:00Z","day":"16","author":[{"full_name":"Su, Timothy A.","last_name":"Su","first_name":"Timothy A."},{"last_name":"Li","first_name":"Haixing","full_name":"Li, Haixing"},{"last_name":"Zhang","first_name":"Vivian","full_name":"Zhang, Vivian"},{"first_name":"Madhav","last_name":"Neupane","full_name":"Neupane, Madhav"},{"full_name":"Batra, Arunabh","last_name":"Batra","first_name":"Arunabh"},{"first_name":"Rebekka S.","last_name":"Klausen","full_name":"Klausen, Rebekka S."},{"last_name":"Kumar","first_name":"Bharat","full_name":"Kumar, Bharat"},{"first_name":"Michael L.","last_name":"Steigerwald","full_name":"Steigerwald, Michael L."},{"orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","first_name":"Latha","last_name":"Venkataraman","full_name":"Venkataraman, Latha"},{"first_name":"Colin","last_name":"Nuckolls","full_name":"Nuckolls, Colin"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","language":[{"iso":"eng"}],"publication":"Journal of the American Chemical Society"},{"scopus_import":"1","oa_version":"None","date_updated":"2024-12-18T12:10:06Z","year":"2015","pmid":1,"OA_type":"closed access","publication_status":"published","page":"5028-5033","status":"public","_id":"17973","title":"Electric field breakdown in single molecule junctions","extern":"1","date_created":"2024-09-09T10:04:02Z","abstract":[{"lang":"eng","text":"Here we study the stability and rupture of molecular junctions under high voltage bias at the single molecule/single bond level using the scanning tunneling microscope-based break-junction technique. We synthesize carbon-, silicon-, and germanium-based molecular wires terminated by aurophilic linker groups and study how the molecular backbone and linker group affect the probability of voltage-induced junction rupture. First, we find that junctions formed with covalent S–Au bonds are robust under high voltage and their rupture does not demonstrate bias dependence within our bias range. In contrast, junctions formed through donor–acceptor bonds rupture more frequently, and their rupture probability demonstrates a strong bias dependence. Moreover, we find that the junction rupture probability increases significantly above ∼1 V in junctions formed from methylthiol-terminated disilanes and digermanes, indicating a voltage-induced rupture of individual Si–Si and Ge–Ge bonds. Finally, we compare the rupture probabilities of the thiol-terminated silane derivatives containing Si–Si, Si–C, and Si–O bonds and find that Si–C backbones have higher probabilities of sustaining the highest voltage. These results establish a new method for studying electric field breakdown phenomena at the single molecule level."}],"author":[{"full_name":"Li, Haixing","last_name":"Li","first_name":"Haixing"},{"full_name":"Su, Timothy A.","last_name":"Su","first_name":"Timothy A."},{"first_name":"Vivian","last_name":"Zhang","full_name":"Zhang, Vivian"},{"full_name":"Steigerwald, Michael L.","first_name":"Michael L.","last_name":"Steigerwald"},{"full_name":"Nuckolls, Colin","last_name":"Nuckolls","first_name":"Colin"},{"id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha","last_name":"Venkataraman","first_name":"Latha"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","language":[{"iso":"eng"}],"publication":"Journal of the American Chemical Society","intvolume":"       137","issue":"15","citation":{"ama":"Li H, Su TA, Zhang V, Steigerwald ML, Nuckolls C, Venkataraman L. Electric field breakdown in single molecule junctions. <i>Journal of the American Chemical Society</i>. 2015;137(15):5028-5033. doi:<a href=\"https://doi.org/10.1021/ja512523r\">10.1021/ja512523r</a>","ieee":"H. Li, T. A. Su, V. Zhang, M. L. Steigerwald, C. Nuckolls, and L. Venkataraman, “Electric field breakdown in single molecule junctions,” <i>Journal of the American Chemical Society</i>, vol. 137, no. 15. American Chemical Society, pp. 5028–5033, 2015.","ista":"Li H, Su TA, Zhang V, Steigerwald ML, Nuckolls C, Venkataraman L. 2015. Electric field breakdown in single molecule junctions. Journal of the American Chemical Society. 137(15), 5028–5033.","chicago":"Li, Haixing, Timothy A. Su, Vivian Zhang, Michael L. Steigerwald, Colin Nuckolls, and Latha Venkataraman. “Electric Field Breakdown in Single Molecule Junctions.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2015. <a href=\"https://doi.org/10.1021/ja512523r\">https://doi.org/10.1021/ja512523r</a>.","short":"H. Li, T.A. Su, V. Zhang, M.L. Steigerwald, C. Nuckolls, L. Venkataraman, Journal of the American Chemical Society 137 (2015) 5028–5033.","mla":"Li, Haixing, et al. “Electric Field Breakdown in Single Molecule Junctions.” <i>Journal of the American Chemical Society</i>, vol. 137, no. 15, American Chemical Society, 2015, pp. 5028–33, doi:<a href=\"https://doi.org/10.1021/ja512523r\">10.1021/ja512523r</a>.","apa":"Li, H., Su, T. A., Zhang, V., Steigerwald, M. L., Nuckolls, C., &#38; Venkataraman, L. (2015). Electric field breakdown in single molecule junctions. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja512523r\">https://doi.org/10.1021/ja512523r</a>"},"publisher":"American Chemical Society","article_processing_charge":"No","day":"12","date_published":"2015-02-12T00:00:00Z","external_id":{"pmid":["25675085"]},"type":"journal_article","volume":137,"doi":"10.1021/ja512523r","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"article_type":"original","month":"02","quality_controlled":"1"},{"year":"2014","pmid":1,"publication_status":"published","page":"11276-11279","scopus_import":"1","oa_version":"None","date_updated":"2024-10-14T12:20:21Z","status":"public","_id":"13401","title":"Cyclic kinetics during thermal equilibration of an axially chiral bis-spiropyran","extern":"1","date_created":"2023-08-01T09:46:12Z","abstract":[{"lang":"eng","text":"A compound combining the features of a molecular rotor and a photoswitch was synthesized and was shown to exist as three diastereomers, which interconvert via a reversible cyclic reaction scheme. Each of the three diastereomers was isolated, and by following the equilibration kinetics, activation barriers for all reactions were calculated. The results indicate that the properties of molecular switches depend heavily on their immediate chemical environment. The conclusions are important in the context of designing new switchable molecules and materials."}],"intvolume":"       136","issue":"32","citation":{"apa":"Kundu, P. K., Lerner, A., Kučanda, K., Leitus, G., &#38; Klajn, R. (2014). Cyclic kinetics during thermal equilibration of an axially chiral bis-spiropyran. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja505948q\">https://doi.org/10.1021/ja505948q</a>","mla":"Kundu, Pintu K., et al. “Cyclic Kinetics during Thermal Equilibration of an Axially Chiral Bis-Spiropyran.” <i>Journal of the American Chemical Society</i>, vol. 136, no. 32, American Chemical Society, 2014, pp. 11276–79, doi:<a href=\"https://doi.org/10.1021/ja505948q\">10.1021/ja505948q</a>.","chicago":"Kundu, Pintu K., Avishai Lerner, Kristina Kučanda, Gregory Leitus, and Rafal Klajn. “Cyclic Kinetics during Thermal Equilibration of an Axially Chiral Bis-Spiropyran.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2014. <a href=\"https://doi.org/10.1021/ja505948q\">https://doi.org/10.1021/ja505948q</a>.","ieee":"P. K. Kundu, A. Lerner, K. Kučanda, G. Leitus, and R. Klajn, “Cyclic kinetics during thermal equilibration of an axially chiral bis-spiropyran,” <i>Journal of the American Chemical Society</i>, vol. 136, no. 32. American Chemical Society, pp. 11276–11279, 2014.","ista":"Kundu PK, Lerner A, Kučanda K, Leitus G, Klajn R. 2014. Cyclic kinetics during thermal equilibration of an axially chiral bis-spiropyran. Journal of the American Chemical Society. 136(32), 11276–11279.","ama":"Kundu PK, Lerner A, Kučanda K, Leitus G, Klajn R. Cyclic kinetics during thermal equilibration of an axially chiral bis-spiropyran. <i>Journal of the American Chemical Society</i>. 2014;136(32):11276-11279. doi:<a href=\"https://doi.org/10.1021/ja505948q\">10.1021/ja505948q</a>","short":"P.K. Kundu, A. Lerner, K. Kučanda, G. Leitus, R. Klajn, Journal of the American Chemical Society 136 (2014) 11276–11279."},"publisher":"American Chemical Society","article_processing_charge":"No","day":"13","date_published":"2014-08-13T00:00:00Z","author":[{"full_name":"Kundu, Pintu K.","last_name":"Kundu","first_name":"Pintu K."},{"full_name":"Lerner, Avishai","last_name":"Lerner","first_name":"Avishai"},{"full_name":"Kučanda, Kristina","first_name":"Kristina","last_name":"Kučanda"},{"full_name":"Leitus, Gregory","first_name":"Gregory","last_name":"Leitus"},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","first_name":"Rafal","last_name":"Klajn","full_name":"Klajn, Rafal"}],"keyword":["Colloid and Surface Chemistry","Biochemistry","General Chemistry","Catalysis"],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","language":[{"iso":"eng"}],"publication":"Journal of the American Chemical Society","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]},"article_type":"original","month":"08","quality_controlled":"1","external_id":{"pmid":["25072292"]},"type":"journal_article","volume":136,"doi":"10.1021/ja505948q"},{"date_created":"2023-08-01T09:46:44Z","abstract":[{"lang":"eng","text":"We show that bimolecular reactions between species confined to the surfaces of nanoparticles can be manipulated by the nature of the linker, as well as by the curvature of the underlying particles."}],"extern":"1","title":"Support curvature and conformational freedom control chemical reactivity of immobilized species","_id":"13403","status":"public","date_updated":"2024-10-14T12:20:41Z","oa_version":"None","scopus_import":"1","publication_status":"published","page":"2711-2714","pmid":1,"year":"2014","volume":136,"doi":"10.1021/ja411573a","external_id":{"pmid":["24320557"]},"type":"journal_article","month":"02","quality_controlled":"1","article_type":"original","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","language":[{"iso":"eng"}],"publication":"Journal of the American Chemical Society","keyword":["Colloid and Surface Chemistry","Biochemistry","General Chemistry","Catalysis"],"author":[{"full_name":"Zdobinsky, Tino","first_name":"Tino","last_name":"Zdobinsky"},{"full_name":"Sankar Maiti, Pradipta","last_name":"Sankar Maiti","first_name":"Pradipta"},{"full_name":"Klajn, Rafal","last_name":"Klajn","first_name":"Rafal","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b"}],"article_processing_charge":"No","date_published":"2014-02-19T00:00:00Z","day":"19","citation":{"short":"T. Zdobinsky, P. Sankar Maiti, R. Klajn, Journal of the American Chemical Society 136 (2014) 2711–2714.","ama":"Zdobinsky T, Sankar Maiti P, Klajn R. Support curvature and conformational freedom control chemical reactivity of immobilized species. <i>Journal of the American Chemical Society</i>. 2014;136(7):2711-2714. doi:<a href=\"https://doi.org/10.1021/ja411573a\">10.1021/ja411573a</a>","chicago":"Zdobinsky, Tino, Pradipta Sankar Maiti, and Rafal Klajn. “Support Curvature and Conformational Freedom Control Chemical Reactivity of Immobilized Species.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2014. <a href=\"https://doi.org/10.1021/ja411573a\">https://doi.org/10.1021/ja411573a</a>.","ieee":"T. Zdobinsky, P. Sankar Maiti, and R. Klajn, “Support curvature and conformational freedom control chemical reactivity of immobilized species,” <i>Journal of the American Chemical Society</i>, vol. 136, no. 7. American Chemical Society, pp. 2711–2714, 2014.","ista":"Zdobinsky T, Sankar Maiti P, Klajn R. 2014. Support curvature and conformational freedom control chemical reactivity of immobilized species. Journal of the American Chemical Society. 136(7), 2711–2714.","mla":"Zdobinsky, Tino, et al. “Support Curvature and Conformational Freedom Control Chemical Reactivity of Immobilized Species.” <i>Journal of the American Chemical Society</i>, vol. 136, no. 7, American Chemical Society, 2014, pp. 2711–14, doi:<a href=\"https://doi.org/10.1021/ja411573a\">10.1021/ja411573a</a>.","apa":"Zdobinsky, T., Sankar Maiti, P., &#38; Klajn, R. (2014). Support curvature and conformational freedom control chemical reactivity of immobilized species. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja411573a\">https://doi.org/10.1021/ja411573a</a>"},"publisher":"American Chemical Society","intvolume":"       136","issue":"7"},{"date_created":"2020-09-18T10:07:52Z","month":"11","quality_controlled":"1","abstract":[{"lang":"eng","text":"The maintenance of bacterial cell shape and integrity is largely attributed to peptidoglycan, a highly cross-linked biopolymer. The transpeptidases that perform this cross-linking are important targets for antibiotics. Despite this biomedical importance, to date no structure of a protein in complex with an intact bacterial peptidoglycan has been resolved, primarily due to the large size and flexibility of peptidoglycan sacculi. Here we use solid-state NMR spectroscopy to derive for the first time an atomic model of an l,d-transpeptidase from Bacillus subtilis bound to its natural substrate, the intact B. subtilis peptidoglycan. Importantly, the model obtained from protein chemical shift perturbation data shows that both domains—the catalytic domain as well as the proposed peptidoglycan recognition domain—are important for the interaction and reveals a novel binding motif that involves residues outside of the classical enzymatic pocket. Experiments on mutants and truncated protein constructs independently confirm the binding site and the implication of both domains. Through measurements of dipolar-coupling derived order parameters of bond motion we show that protein binding reduces the flexibility of peptidoglycan. This first report of an atomic model of a protein–peptidoglycan complex paves the way for the design of new antibiotic drugs targeting l,d-transpeptidases. The strategy developed here can be extended to the study of a large variety of enzymes involved in peptidoglycan morphogenesis."}],"extern":"1","article_type":"original","publication_identifier":{"issn":["0002-7863","1520-5126"]},"title":"Atomic model of a cell-wall cross-linking enzyme in complex with an intact bacterial peptidoglycan","status":"public","_id":"8458","volume":136,"doi":"10.1021/ja5105987","type":"journal_article","publication_status":"published","page":"17852-17860","article_processing_charge":"No","date_published":"2014-11-27T00:00:00Z","day":"27","citation":{"apa":"Schanda, P., Triboulet, S., Laguri, C., Bougault, C. M., Ayala, I., Callon, M., … Simorre, J.-P. (2014). Atomic model of a cell-wall cross-linking enzyme in complex with an intact bacterial peptidoglycan. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja5105987\">https://doi.org/10.1021/ja5105987</a>","mla":"Schanda, Paul, et al. “Atomic Model of a Cell-Wall Cross-Linking Enzyme in Complex with an Intact Bacterial Peptidoglycan.” <i>Journal of the American Chemical Society</i>, vol. 136, no. 51, American Chemical Society, 2014, pp. 17852–60, doi:<a href=\"https://doi.org/10.1021/ja5105987\">10.1021/ja5105987</a>.","ieee":"P. Schanda <i>et al.</i>, “Atomic model of a cell-wall cross-linking enzyme in complex with an intact bacterial peptidoglycan,” <i>Journal of the American Chemical Society</i>, vol. 136, no. 51. American Chemical Society, pp. 17852–17860, 2014.","chicago":"Schanda, Paul, Sébastien Triboulet, Cédric Laguri, Catherine M. Bougault, Isabel Ayala, Morgane Callon, Michel Arthur, and Jean-Pierre Simorre. “Atomic Model of a Cell-Wall Cross-Linking Enzyme in Complex with an Intact Bacterial Peptidoglycan.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2014. <a href=\"https://doi.org/10.1021/ja5105987\">https://doi.org/10.1021/ja5105987</a>.","ista":"Schanda P, Triboulet S, Laguri C, Bougault CM, Ayala I, Callon M, Arthur M, Simorre J-P. 2014. Atomic model of a cell-wall cross-linking enzyme in complex with an intact bacterial peptidoglycan. Journal of the American Chemical Society. 136(51), 17852–17860.","ama":"Schanda P, Triboulet S, Laguri C, et al. Atomic model of a cell-wall cross-linking enzyme in complex with an intact bacterial peptidoglycan. <i>Journal of the American Chemical Society</i>. 2014;136(51):17852-17860. doi:<a href=\"https://doi.org/10.1021/ja5105987\">10.1021/ja5105987</a>","short":"P. Schanda, S. Triboulet, C. Laguri, C.M. Bougault, I. Ayala, M. Callon, M. Arthur, J.-P. Simorre, Journal of the American Chemical Society 136 (2014) 17852–17860."},"publisher":"American Chemical Society","intvolume":"       136","year":"2014","issue":"51","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","language":[{"iso":"eng"}],"date_updated":"2021-01-12T08:19:24Z","publication":"Journal of the American Chemical Society","oa_version":"None","author":[{"orcid":"0000-0002-9350-7606","id":"7B541462-FAF6-11E9-A490-E8DFE5697425","last_name":"Schanda","first_name":"Paul","full_name":"Schanda, Paul"},{"full_name":"Triboulet, Sébastien","first_name":"Sébastien","last_name":"Triboulet"},{"last_name":"Laguri","first_name":"Cédric","full_name":"Laguri, Cédric"},{"full_name":"Bougault, Catherine M.","last_name":"Bougault","first_name":"Catherine M."},{"full_name":"Ayala, Isabel","first_name":"Isabel","last_name":"Ayala"},{"full_name":"Callon, Morgane","first_name":"Morgane","last_name":"Callon"},{"last_name":"Arthur","first_name":"Michel","full_name":"Arthur, Michel"},{"full_name":"Simorre, Jean-Pierre","last_name":"Simorre","first_name":"Jean-Pierre"}]},{"author":[{"full_name":"Batra, Arunabh","first_name":"Arunabh","last_name":"Batra"},{"full_name":"Kladnik, Gregor","last_name":"Kladnik","first_name":"Gregor"},{"last_name":"Gorjizadeh","first_name":"Narjes","full_name":"Gorjizadeh, Narjes"},{"full_name":"Meisner, Jeffrey","first_name":"Jeffrey","last_name":"Meisner"},{"full_name":"Steigerwald, Michael","last_name":"Steigerwald","first_name":"Michael"},{"full_name":"Nuckolls, Colin","first_name":"Colin","last_name":"Nuckolls"},{"full_name":"Quek, Su Ying","last_name":"Quek","first_name":"Su Ying"},{"full_name":"Cvetko, Dean","first_name":"Dean","last_name":"Cvetko"},{"first_name":"Alberto","last_name":"Morgante","full_name":"Morgante, Alberto"},{"first_name":"Latha","last_name":"Venkataraman","full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf"}],"language":[{"iso":"eng"}],"publication":"Journal of the American Chemical Society","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","issue":"36","intvolume":"       136","publisher":"American Chemical Society","citation":{"short":"A. Batra, G. Kladnik, N. Gorjizadeh, J. Meisner, M. Steigerwald, C. Nuckolls, S.Y. Quek, D. Cvetko, A. Morgante, L. Venkataraman, Journal of the American Chemical Society 136 (2014) 12556–12559.","chicago":"Batra, Arunabh, Gregor Kladnik, Narjes Gorjizadeh, Jeffrey Meisner, Michael Steigerwald, Colin Nuckolls, Su Ying Quek, Dean Cvetko, Alberto Morgante, and Latha Venkataraman. “Trimethyltin-Mediated Covalent Gold–Carbon Bond Formation.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2014. <a href=\"https://doi.org/10.1021/ja5061406\">https://doi.org/10.1021/ja5061406</a>.","ieee":"A. Batra <i>et al.</i>, “Trimethyltin-mediated covalent Gold–Carbon bond formation,” <i>Journal of the American Chemical Society</i>, vol. 136, no. 36. American Chemical Society, pp. 12556–12559, 2014.","ista":"Batra A, Kladnik G, Gorjizadeh N, Meisner J, Steigerwald M, Nuckolls C, Quek SY, Cvetko D, Morgante A, Venkataraman L. 2014. Trimethyltin-mediated covalent Gold–Carbon bond formation. Journal of the American Chemical Society. 136(36), 12556–12559.","ama":"Batra A, Kladnik G, Gorjizadeh N, et al. Trimethyltin-mediated covalent Gold–Carbon bond formation. <i>Journal of the American Chemical Society</i>. 2014;136(36):12556-12559. doi:<a href=\"https://doi.org/10.1021/ja5061406\">10.1021/ja5061406</a>","apa":"Batra, A., Kladnik, G., Gorjizadeh, N., Meisner, J., Steigerwald, M., Nuckolls, C., … Venkataraman, L. (2014). Trimethyltin-mediated covalent Gold–Carbon bond formation. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja5061406\">https://doi.org/10.1021/ja5061406</a>","mla":"Batra, Arunabh, et al. “Trimethyltin-Mediated Covalent Gold–Carbon Bond Formation.” <i>Journal of the American Chemical Society</i>, vol. 136, no. 36, American Chemical Society, 2014, pp. 12556–59, doi:<a href=\"https://doi.org/10.1021/ja5061406\">10.1021/ja5061406</a>."},"date_published":"2014-08-14T00:00:00Z","day":"14","article_processing_charge":"No","type":"journal_article","external_id":{"pmid":["25121718"]},"doi":"10.1021/ja5061406","volume":136,"publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"article_type":"letter_note","quality_controlled":"1","month":"08","oa_version":"None","scopus_import":"1","date_updated":"2025-01-02T13:49:12Z","year":"2014","pmid":1,"publication_status":"published","page":"12556-12559","_id":"17980","status":"public","title":"Trimethyltin-mediated covalent Gold–Carbon bond formation","extern":"1","abstract":[{"text":"We study the formation of covalent gold–carbon bonds in benzyltrimethylstannane (C10H16Sn) deposited on Au in ultra-high-vacuum conditions. Through X-ray photoemission spectroscopy and X-ray absorption measurements, we find that the molecule fragments at the Sn–benzyl bond when exposed to Au surfaces at temperatures as low as −110 °C. The resulting benzyl species is stabilized by the presence of Au(111) but only forms covalent Au–C bonds on more reactive Au surfaces like Au(110). We also present spectroscopic proof for the existence of an electronic “gateway” state localized on the Au–C bond that is responsible for its unique electronic properties. Finally, we use DFT-based nudged elastic band calculations to elucidate the crucial role played by the under-coordinated Au surface in the formation of Au–C bonds.","lang":"eng"}],"date_created":"2024-09-09T10:59:21Z"},{"title":"Length-dependent conductance of oligothiophenes","status":"public","_id":"17983","abstract":[{"lang":"eng","text":"We have measured the single-molecule conductance of a family of oligothiophenes comprising 1–6 thiophene moieties terminated with methyl-sulfide linkers using the scanning tunneling microscope-based break-junction technique. We find an anomalous behavior: the peak of the conductance histogram distribution does not follow a clear exponential decay with increasing number of thiophene units in the chain. The electronic properties of the materials were characterized by optical spectroscopy and electrochemistry to gain an understanding of the factors affecting the conductance of these molecules. We postulate that different conformers in the junction are a contributing factor to the anomalous trend in the observed conductance as a function of molecule length."}],"date_created":"2024-09-09T11:06:46Z","extern":"1","pmid":1,"year":"2014","publication_status":"published","page":"10486-10492","OA_type":"closed access","scopus_import":"1","oa_version":"None","date_updated":"2025-01-02T14:06:54Z","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"quality_controlled":"1","month":"07","article_type":"original","type":"journal_article","external_id":{"pmid":["25003761"]},"doi":"10.1021/ja505277z","volume":136,"publisher":"American Chemical Society","citation":{"apa":"Capozzi, B., Dell, E. J., Berkelbach, T. C., Reichman, D. R., Venkataraman, L., &#38; Campos, L. M. (2014). Length-dependent conductance of oligothiophenes. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja505277z\">https://doi.org/10.1021/ja505277z</a>","mla":"Capozzi, Brian, et al. “Length-Dependent Conductance of Oligothiophenes.” <i>Journal of the American Chemical Society</i>, vol. 136, no. 29, American Chemical Society, 2014, pp. 10486–92, doi:<a href=\"https://doi.org/10.1021/ja505277z\">10.1021/ja505277z</a>.","ista":"Capozzi B, Dell EJ, Berkelbach TC, Reichman DR, Venkataraman L, Campos LM. 2014. Length-dependent conductance of oligothiophenes. Journal of the American Chemical Society. 136(29), 10486–10492.","chicago":"Capozzi, Brian, Emma J. Dell, Timothy C. Berkelbach, David R. Reichman, Latha Venkataraman, and Luis M. Campos. “Length-Dependent Conductance of Oligothiophenes.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2014. <a href=\"https://doi.org/10.1021/ja505277z\">https://doi.org/10.1021/ja505277z</a>.","ieee":"B. Capozzi, E. J. Dell, T. C. Berkelbach, D. R. Reichman, L. Venkataraman, and L. M. Campos, “Length-dependent conductance of oligothiophenes,” <i>Journal of the American Chemical Society</i>, vol. 136, no. 29. American Chemical Society, pp. 10486–10492, 2014.","ama":"Capozzi B, Dell EJ, Berkelbach TC, Reichman DR, Venkataraman L, Campos LM. Length-dependent conductance of oligothiophenes. <i>Journal of the American Chemical Society</i>. 2014;136(29):10486-10492. doi:<a href=\"https://doi.org/10.1021/ja505277z\">10.1021/ja505277z</a>","short":"B. Capozzi, E.J. Dell, T.C. Berkelbach, D.R. Reichman, L. Venkataraman, L.M. Campos, Journal of the American Chemical Society 136 (2014) 10486–10492."},"issue":"29","intvolume":"       136","date_published":"2014-07-08T00:00:00Z","day":"08","article_processing_charge":"No","author":[{"last_name":"Capozzi","first_name":"Brian","full_name":"Capozzi, Brian"},{"full_name":"Dell, Emma J.","last_name":"Dell","first_name":"Emma J."},{"first_name":"Timothy C.","last_name":"Berkelbach","full_name":"Berkelbach, Timothy C."},{"last_name":"Reichman","first_name":"David R.","full_name":"Reichman, David R."},{"orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","last_name":"Venkataraman","first_name":"Latha","full_name":"Venkataraman, Latha"},{"full_name":"Campos, Luis M.","last_name":"Campos","first_name":"Luis M."}],"publication":"Journal of the American Chemical Society","language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87"},{"extern":"1","date_created":"2024-09-09T11:25:35Z","abstract":[{"text":"We have measured the conductance of single-molecule junctions created with three different molecular wires using the scanning tunneling microscope-based break-junction technique. Each wire contains one of three different cyclic five-membered rings: cyclopentadiene, furan, or thiophene. We find that the single-molecule conductance of these three wires correlates negatively with the resonance energy of the five-membered ring; the nonaromatic cyclopentadiene derivative has the highest conductance, while the most aromatic of this series, thiophene, has the lowest. Furthermore, we show for another wire structure that the conductance of furan-based wires is consistently higher than for analogous thiophene systems, indicating that the negative correlation between conductance and aromaticity is robust. The best conductance would be for a quinoid structure that diminishes aromaticity. The energy penalty for partly adopting the quinoid structure is less with compounds having lower initial aromatic stabilization. An additional effect may reflect the lower HOMOs of aromatic compounds.","lang":"eng"}],"status":"public","_id":"17989","title":"Aromaticity decreases single-molecule junction sonductance","date_updated":"2025-01-03T07:46:41Z","oa_version":"None","scopus_import":"1","OA_type":"closed access","page":"918-920","publication_status":"published","year":"2014","pmid":1,"volume":136,"doi":"10.1021/ja411143s","external_id":{"pmid":["24397414"]},"type":"journal_article","article_type":"letter_note","month":"01","quality_controlled":"1","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication":"Journal of the American Chemical Society","language":[{"iso":"eng"}],"author":[{"last_name":"Chen","first_name":"Wenbo","full_name":"Chen, Wenbo"},{"last_name":"Li","first_name":"Haixing","full_name":"Li, Haixing"},{"full_name":"Widawsky, Jonathan R.","last_name":"Widawsky","first_name":"Jonathan R."},{"last_name":"Appayee","first_name":"Chandrakumar","full_name":"Appayee, Chandrakumar"},{"id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha","first_name":"Latha","last_name":"Venkataraman"},{"first_name":"Ronald","last_name":"Breslow","full_name":"Breslow, Ronald"}],"article_processing_charge":"No","day":"07","date_published":"2014-01-07T00:00:00Z","intvolume":"       136","issue":"3","citation":{"mla":"Chen, Wenbo, et al. “Aromaticity Decreases Single-Molecule Junction Sonductance.” <i>Journal of the American Chemical Society</i>, vol. 136, no. 3, American Chemical Society, 2014, pp. 918–20, doi:<a href=\"https://doi.org/10.1021/ja411143s\">10.1021/ja411143s</a>.","apa":"Chen, W., Li, H., Widawsky, J. R., Appayee, C., Venkataraman, L., &#38; Breslow, R. (2014). Aromaticity decreases single-molecule junction sonductance. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja411143s\">https://doi.org/10.1021/ja411143s</a>","short":"W. Chen, H. Li, J.R. Widawsky, C. Appayee, L. Venkataraman, R. Breslow, Journal of the American Chemical Society 136 (2014) 918–920.","ama":"Chen W, Li H, Widawsky JR, Appayee C, Venkataraman L, Breslow R. Aromaticity decreases single-molecule junction sonductance. <i>Journal of the American Chemical Society</i>. 2014;136(3):918-920. doi:<a href=\"https://doi.org/10.1021/ja411143s\">10.1021/ja411143s</a>","ieee":"W. Chen, H. Li, J. R. Widawsky, C. Appayee, L. Venkataraman, and R. Breslow, “Aromaticity decreases single-molecule junction sonductance,” <i>Journal of the American Chemical Society</i>, vol. 136, no. 3. American Chemical Society, pp. 918–920, 2014.","ista":"Chen W, Li H, Widawsky JR, Appayee C, Venkataraman L, Breslow R. 2014. Aromaticity decreases single-molecule junction sonductance. Journal of the American Chemical Society. 136(3), 918–920.","chicago":"Chen, Wenbo, Haixing Li, Jonathan R. Widawsky, Chandrakumar Appayee, Latha Venkataraman, and Ronald Breslow. “Aromaticity Decreases Single-Molecule Junction Sonductance.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2014. <a href=\"https://doi.org/10.1021/ja411143s\">https://doi.org/10.1021/ja411143s</a>."},"publisher":"American Chemical Society"},{"title":"Silicon ring strain creates high-conductance pathways in single-molecule circuits","status":"public","_id":"17992","abstract":[{"lang":"eng","text":"Here we demonstrate for the first time that strained silanes couple directly to gold electrodes in break-junction conductance measurements. We find that strained silicon molecular wires terminated by alkyl sulfide aurophiles behave effectively as single-molecule parallel circuits with competing sulfur-to-sulfur (low G) and sulfur-to-silacycle (high G) pathways. We can switch off the high conducting sulfur-to-silacycle pathway by altering the environment of the electrode surface to disable the Au–silacycle coupling. Additionally, we can switch between conductive pathways in a single molecular junction by modulating the tip–substrate electrode distance. This study provides a new molecular design to control electronics in silicon-based single molecule wires."}],"date_created":"2024-09-09T11:29:00Z","extern":"1","pmid":1,"year":"2013","page":"18331-18334","publication_status":"published","OA_type":"closed access","oa_version":"None","scopus_import":"1","date_updated":"2025-01-03T07:54:49Z","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]},"quality_controlled":"1","month":"11","article_type":"letter_note","type":"journal_article","external_id":{"pmid":["24261548"]},"doi":"10.1021/ja410656a","volume":135,"publisher":"American Chemical Society","citation":{"short":"T.A. Su, J.R. Widawsky, H. Li, R.S. Klausen, J.L. Leighton, M.L. Steigerwald, L. Venkataraman, C. Nuckolls, Journal of the American Chemical Society 135 (2013) 18331–18334.","ama":"Su TA, Widawsky JR, Li H, et al. Silicon ring strain creates high-conductance pathways in single-molecule circuits. <i>Journal of the American Chemical Society</i>. 2013;135(49):18331-18334. doi:<a href=\"https://doi.org/10.1021/ja410656a\">10.1021/ja410656a</a>","chicago":"Su, Timothy A., Jonathan R. Widawsky, Haixing Li, Rebekka S. Klausen, James L. Leighton, Michael L. Steigerwald, Latha Venkataraman, and Colin Nuckolls. “Silicon Ring Strain Creates High-Conductance Pathways in Single-Molecule Circuits.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2013. <a href=\"https://doi.org/10.1021/ja410656a\">https://doi.org/10.1021/ja410656a</a>.","ieee":"T. A. Su <i>et al.</i>, “Silicon ring strain creates high-conductance pathways in single-molecule circuits,” <i>Journal of the American Chemical Society</i>, vol. 135, no. 49. American Chemical Society, pp. 18331–18334, 2013.","ista":"Su TA, Widawsky JR, Li H, Klausen RS, Leighton JL, Steigerwald ML, Venkataraman L, Nuckolls C. 2013. Silicon ring strain creates high-conductance pathways in single-molecule circuits. Journal of the American Chemical Society. 135(49), 18331–18334.","mla":"Su, Timothy A., et al. “Silicon Ring Strain Creates High-Conductance Pathways in Single-Molecule Circuits.” <i>Journal of the American Chemical Society</i>, vol. 135, no. 49, American Chemical Society, 2013, pp. 18331–34, doi:<a href=\"https://doi.org/10.1021/ja410656a\">10.1021/ja410656a</a>.","apa":"Su, T. A., Widawsky, J. R., Li, H., Klausen, R. S., Leighton, J. L., Steigerwald, M. L., … Nuckolls, C. (2013). Silicon ring strain creates high-conductance pathways in single-molecule circuits. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja410656a\">https://doi.org/10.1021/ja410656a</a>"},"issue":"49","intvolume":"       135","date_published":"2013-11-21T00:00:00Z","day":"21","article_processing_charge":"No","author":[{"first_name":"Timothy A.","last_name":"Su","full_name":"Su, Timothy A."},{"last_name":"Widawsky","first_name":"Jonathan R.","full_name":"Widawsky, Jonathan R."},{"first_name":"Haixing","last_name":"Li","full_name":"Li, Haixing"},{"last_name":"Klausen","first_name":"Rebekka S.","full_name":"Klausen, Rebekka S."},{"full_name":"Leighton, James L.","last_name":"Leighton","first_name":"James L."},{"full_name":"Steigerwald, Michael L.","last_name":"Steigerwald","first_name":"Michael L."},{"full_name":"Venkataraman, Latha","first_name":"Latha","last_name":"Venkataraman","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","orcid":"0000-0002-6957-6089"},{"full_name":"Nuckolls, Colin","first_name":"Colin","last_name":"Nuckolls"}],"publication":"Journal of the American Chemical Society","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","language":[{"iso":"eng"}]},{"scopus_import":"1","oa_version":"None","date_updated":"2025-01-03T08:00:57Z","year":"2013","publication_status":"published","page":"11724-11727","OA_type":"closed access","status":"public","_id":"17995","title":"Impact of molecular symmetry on single-molecule conductance","extern":"1","abstract":[{"text":"We have measured the single-molecule conductance of a family of bithiophene derivatives terminated with methyl sulfide gold-binding linkers using a scanning tunneling microscope based break-junction technique. We find a broad distribution in the single-molecule conductance of bithiophene compared with that of a methyl sulfide terminated biphenyl. Using a combination of experiments and calculations, we show that this increased breadth in the conductance distribution is explained by the difference in 5-fold symmetry of thiophene rings as compared to the 6-fold symmetry of benzene rings. The reduced symmetry of thiophene rings results in a restriction on the torsion angle space available to these molecules when bound between two metal electrodes in a junction, causing each molecular junction to sample a different set of conformers in the conductance measurements. In contrast, the rotations of biphenyl are essentially unimpeded by junction binding, allowing each molecular junction to sample similar conformers. This work demonstrates that the conductance of bithiophene displays a strong dependence on the conformational fluctuations accessible within a given junction configuration, and that the symmetry of such small molecules can significantly influence their conductance behaviors.","lang":"eng"}],"date_created":"2024-09-09T11:32:00Z","author":[{"last_name":"Dell","first_name":"Emma J.","full_name":"Dell, Emma J."},{"full_name":"Capozzi, Brian","first_name":"Brian","last_name":"Capozzi"},{"full_name":"DuBay, Kateri H.","first_name":"Kateri H.","last_name":"DuBay"},{"full_name":"Berkelbach, Timothy C.","first_name":"Timothy C.","last_name":"Berkelbach"},{"first_name":"Jose Ricardo","last_name":"Moreno","full_name":"Moreno, Jose Ricardo"},{"first_name":"David R.","last_name":"Reichman","full_name":"Reichman, David R."},{"last_name":"Venkataraman","first_name":"Latha","full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf"},{"last_name":"Campos","first_name":"Luis M.","full_name":"Campos, Luis M."}],"publication":"Journal of the American Chemical Society","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","language":[{"iso":"eng"}],"arxiv":1,"issue":"32","intvolume":"       135","publisher":"American Chemical Society","citation":{"apa":"Dell, E. J., Capozzi, B., DuBay, K. H., Berkelbach, T. C., Moreno, J. R., Reichman, D. R., … Campos, L. M. (2013). Impact of molecular symmetry on single-molecule conductance. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja4055367\">https://doi.org/10.1021/ja4055367</a>","mla":"Dell, Emma J., et al. “Impact of Molecular Symmetry on Single-Molecule Conductance.” <i>Journal of the American Chemical Society</i>, vol. 135, no. 32, American Chemical Society, 2013, pp. 11724–27, doi:<a href=\"https://doi.org/10.1021/ja4055367\">10.1021/ja4055367</a>.","short":"E.J. Dell, B. Capozzi, K.H. DuBay, T.C. Berkelbach, J.R. Moreno, D.R. Reichman, L. Venkataraman, L.M. Campos, Journal of the American Chemical Society 135 (2013) 11724–11727.","ista":"Dell EJ, Capozzi B, DuBay KH, Berkelbach TC, Moreno JR, Reichman DR, Venkataraman L, Campos LM. 2013. Impact of molecular symmetry on single-molecule conductance. Journal of the American Chemical Society. 135(32), 11724–11727.","chicago":"Dell, Emma J., Brian Capozzi, Kateri H. DuBay, Timothy C. Berkelbach, Jose Ricardo Moreno, David R. Reichman, Latha Venkataraman, and Luis M. Campos. “Impact of Molecular Symmetry on Single-Molecule Conductance.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2013. <a href=\"https://doi.org/10.1021/ja4055367\">https://doi.org/10.1021/ja4055367</a>.","ieee":"E. J. Dell <i>et al.</i>, “Impact of molecular symmetry on single-molecule conductance,” <i>Journal of the American Chemical Society</i>, vol. 135, no. 32. American Chemical Society, pp. 11724–11727, 2013.","ama":"Dell EJ, Capozzi B, DuBay KH, et al. Impact of molecular symmetry on single-molecule conductance. <i>Journal of the American Chemical Society</i>. 2013;135(32):11724-11727. doi:<a href=\"https://doi.org/10.1021/ja4055367\">10.1021/ja4055367</a>"},"day":"01","date_published":"2013-08-01T00:00:00Z","article_processing_charge":"No","type":"journal_article","external_id":{"arxiv":["23905714"]},"doi":"10.1021/ja4055367","volume":135,"publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]},"article_type":"letter_note","quality_controlled":"1","month":"08"},{"date_updated":"2024-10-14T12:21:27Z","oa_version":"Published Version","scopus_import":"1","page":"19564-19567","publication_status":"published","pmid":1,"year":"2012","abstract":[{"text":"We show that diamagnetic particles can be remotely manipulated by a magnet by the reversible adsorption of dual-responsive, light-switchable/superparamagnetic nanoparticles down to their surface. Adsorption occurs upon exposure to UV light, and can be reversed thermally or by ambient light. The dynamic self-assembly of thin films of the dual-responsive nanoparticles induces attractive interactions between diamagnetic particles. We demonstrate that catalytic amounts of the dual-responsive nanoparticles are sufficient to magnetically guide and deliver the diamagnetic particles to desired locations, where they can then be released by disassembling the dynamic layers of superparamagnetic nanoparticles with visible light.","lang":"eng"}],"date_created":"2023-08-01T09:47:42Z","extern":"1","title":"Dynamically self-assembling carriers enable guiding of diamagnetic particles by weak magnets","status":"public","_id":"13407","language":[{"iso":"eng"}],"publication":"Journal of the American Chemical Society","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","keyword":["Colloid and Surface Chemistry","Biochemistry","General Chemistry","Catalysis"],"author":[{"last_name":"Chovnik","first_name":"Olga","full_name":"Chovnik, Olga"},{"last_name":"Balgley","first_name":"Renata","full_name":"Balgley, Renata"},{"full_name":"Goldman, Joel R.","first_name":"Joel R.","last_name":"Goldman"},{"last_name":"Klajn","first_name":"Rafal","full_name":"Klajn, Rafal","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b"}],"date_published":"2012-11-26T00:00:00Z","day":"26","article_processing_charge":"No","publisher":"American Chemical Society","citation":{"short":"O. Chovnik, R. Balgley, J.R. Goldman, R. Klajn, Journal of the American Chemical Society 134 (2012) 19564–19567.","ama":"Chovnik O, Balgley R, Goldman JR, Klajn R. Dynamically self-assembling carriers enable guiding of diamagnetic particles by weak magnets. <i>Journal of the American Chemical Society</i>. 2012;134(48):19564-19567. doi:<a href=\"https://doi.org/10.1021/ja309633v\">10.1021/ja309633v</a>","ista":"Chovnik O, Balgley R, Goldman JR, Klajn R. 2012. Dynamically self-assembling carriers enable guiding of diamagnetic particles by weak magnets. Journal of the American Chemical Society. 134(48), 19564–19567.","chicago":"Chovnik, Olga, Renata Balgley, Joel R. Goldman, and Rafal Klajn. “Dynamically Self-Assembling Carriers Enable Guiding of Diamagnetic Particles by Weak Magnets.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2012. <a href=\"https://doi.org/10.1021/ja309633v\">https://doi.org/10.1021/ja309633v</a>.","ieee":"O. Chovnik, R. Balgley, J. R. Goldman, and R. Klajn, “Dynamically self-assembling carriers enable guiding of diamagnetic particles by weak magnets,” <i>Journal of the American Chemical Society</i>, vol. 134, no. 48. American Chemical Society, pp. 19564–19567, 2012.","mla":"Chovnik, Olga, et al. “Dynamically Self-Assembling Carriers Enable Guiding of Diamagnetic Particles by Weak Magnets.” <i>Journal of the American Chemical Society</i>, vol. 134, no. 48, American Chemical Society, 2012, pp. 19564–67, doi:<a href=\"https://doi.org/10.1021/ja309633v\">10.1021/ja309633v</a>.","apa":"Chovnik, O., Balgley, R., Goldman, J. R., &#38; Klajn, R. (2012). Dynamically self-assembling carriers enable guiding of diamagnetic particles by weak magnets. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja309633v\">https://doi.org/10.1021/ja309633v</a>"},"issue":"48","intvolume":"       134","doi":"10.1021/ja309633v","volume":134,"type":"journal_article","external_id":{"pmid":["23181449"]},"quality_controlled":"1","month":"11","article_type":"original","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]}},{"abstract":[{"lang":"eng","text":"We demonstrate that conformational exchange processes in proteins on microsecond-to-millisecond time scales can be detected and quantified by solid-state NMR spectroscopy. We show two independent approaches that measure the effect of conformational exchange on transverse relaxation parameters, namely Carr–Purcell–Meiboom–Gill relaxation-dispersion experiments and measurement of differential multiple-quantum coherence decay. Long coherence lifetimes, as required for these experiments, are achieved by the use of highly deuterated samples and fast magic-angle spinning. The usefulness of the approaches is demonstrated by application to microcrystalline ubiquitin. We detect a conformational exchange process in a region of the protein for which dynamics have also been observed in solution. Interestingly, quantitative analysis of the data reveals that the exchange process is more than 1 order of magnitude slower than in solution, and this points to the impact of the crystalline environment on free energy barriers."}],"quality_controlled":"1","month":"08","date_created":"2020-09-18T10:10:20Z","article_type":"original","extern":"1","title":"Site-resolved measurement of microsecond-to-millisecond conformational-exchange processes in proteins by solid-state NMR spectroscopy","publication_identifier":{"issn":["0002-7863","1520-5126"]},"_id":"8465","status":"public","doi":"10.1021/ja303591y","volume":134,"type":"journal_article","publication_status":"published","page":"14800-14807","day":"21","date_published":"2012-08-21T00:00:00Z","article_processing_charge":"No","publisher":"American Chemical Society","citation":{"short":"M. Tollinger, A.C. Sivertsen, B.H. Meier, M. Ernst, P. Schanda, Journal of the American Chemical Society 134 (2012) 14800–14807.","ieee":"M. Tollinger, A. C. Sivertsen, B. H. Meier, M. Ernst, and P. Schanda, “Site-resolved measurement of microsecond-to-millisecond conformational-exchange processes in proteins by solid-state NMR spectroscopy,” <i>Journal of the American Chemical Society</i>, vol. 134, no. 36. American Chemical Society, pp. 14800–14807, 2012.","ista":"Tollinger M, Sivertsen AC, Meier BH, Ernst M, Schanda P. 2012. Site-resolved measurement of microsecond-to-millisecond conformational-exchange processes in proteins by solid-state NMR spectroscopy. Journal of the American Chemical Society. 134(36), 14800–14807.","chicago":"Tollinger, Martin, Astrid C. Sivertsen, Beat H. Meier, Matthias Ernst, and Paul Schanda. “Site-Resolved Measurement of Microsecond-to-Millisecond Conformational-Exchange Processes in Proteins by Solid-State NMR Spectroscopy.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2012. <a href=\"https://doi.org/10.1021/ja303591y\">https://doi.org/10.1021/ja303591y</a>.","ama":"Tollinger M, Sivertsen AC, Meier BH, Ernst M, Schanda P. Site-resolved measurement of microsecond-to-millisecond conformational-exchange processes in proteins by solid-state NMR spectroscopy. <i>Journal of the American Chemical Society</i>. 2012;134(36):14800-14807. doi:<a href=\"https://doi.org/10.1021/ja303591y\">10.1021/ja303591y</a>","apa":"Tollinger, M., Sivertsen, A. C., Meier, B. H., Ernst, M., &#38; Schanda, P. (2012). Site-resolved measurement of microsecond-to-millisecond conformational-exchange processes in proteins by solid-state NMR spectroscopy. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja303591y\">https://doi.org/10.1021/ja303591y</a>","mla":"Tollinger, Martin, et al. “Site-Resolved Measurement of Microsecond-to-Millisecond Conformational-Exchange Processes in Proteins by Solid-State NMR Spectroscopy.” <i>Journal of the American Chemical Society</i>, vol. 134, no. 36, American Chemical Society, 2012, pp. 14800–07, doi:<a href=\"https://doi.org/10.1021/ja303591y\">10.1021/ja303591y</a>."},"issue":"36","year":"2012","intvolume":"       134","date_updated":"2021-01-12T08:19:27Z","language":[{"iso":"eng"}],"publication":"Journal of the American Chemical Society","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"full_name":"Tollinger, Martin","first_name":"Martin","last_name":"Tollinger"},{"first_name":"Astrid C.","last_name":"Sivertsen","full_name":"Sivertsen, Astrid C."},{"first_name":"Beat H.","last_name":"Meier","full_name":"Meier, Beat H."},{"full_name":"Ernst, Matthias","first_name":"Matthias","last_name":"Ernst"},{"id":"7B541462-FAF6-11E9-A490-E8DFE5697425","orcid":"0000-0002-9350-7606","full_name":"Schanda, Paul","first_name":"Paul","last_name":"Schanda"}],"oa_version":"None"}]