---
OA_type: closed access
_id: '17857'
abstract:
- lang: eng
  text: Gold–dithiol molecular junctions have been studied both experimentally and
    theoretically. However, the nature of the gold–thiolate bond as it relates to
    the solvent has seldom been investigated. It is known that solvents can impact
    the electronic structure of single-molecule junctions, but the correlation between
    the solvent and dithiol-linked single-molecule junction conductance is not well
    understood. We study molecular junctions formed with thiol-terminated phenylenes
    from both 1-chloronaphthalene and 1-bromonaphthalene solutions. We find that the
    most probable conductance and the distribution of conductances are both affected
    by the solvent. First-principles calculations show that junction conductance depends
    on the binding configurations (adatom, atop, and bridge) of the thiolate on the
    Au surface, as has been shown previously. More importantly, we find that brominated
    solvents can restrict the binding of thiols to specific Au sites. This mechanism
    offers new insight into the effects of the solvent environment on covalent bonding
    in molecular junctions.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Johnson
  full_name: Dalmieda, Johnson
  last_name: Dalmieda
- first_name: Wanzhuo
  full_name: Shi, Wanzhuo
  last_name: Shi
- first_name: Liang
  full_name: Li, Liang
  last_name: Li
- first_name: Latha
  full_name: Venkataraman, Latha
  id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
  last_name: Venkataraman
  orcid: 0000-0002-6957-6089
citation:
  ama: Dalmieda J, Shi W, Li L, Venkataraman L. Solvent-mediated modulation of the
    Au–S bond in dithiol molecular junctions. <i>Nano Letters</i>. 2024;24(2):703-707.
    doi:<a href="https://doi.org/10.1021/acs.nanolett.3c04058">10.1021/acs.nanolett.3c04058</a>
  apa: Dalmieda, J., Shi, W., Li, L., &#38; Venkataraman, L. (2024). Solvent-mediated
    modulation of the Au–S bond in dithiol molecular junctions. <i>Nano Letters</i>.
    American Chemical Society. <a href="https://doi.org/10.1021/acs.nanolett.3c04058">https://doi.org/10.1021/acs.nanolett.3c04058</a>
  chicago: Dalmieda, Johnson, Wanzhuo Shi, Liang Li, and Latha Venkataraman. “Solvent-Mediated
    Modulation of the Au–S Bond in Dithiol Molecular Junctions.” <i>Nano Letters</i>.
    American Chemical Society, 2024. <a href="https://doi.org/10.1021/acs.nanolett.3c04058">https://doi.org/10.1021/acs.nanolett.3c04058</a>.
  ieee: J. Dalmieda, W. Shi, L. Li, and L. Venkataraman, “Solvent-mediated modulation
    of the Au–S bond in dithiol molecular junctions,” <i>Nano Letters</i>, vol. 24,
    no. 2. American Chemical Society, pp. 703–707, 2024.
  ista: Dalmieda J, Shi W, Li L, Venkataraman L. 2024. Solvent-mediated modulation
    of the Au–S bond in dithiol molecular junctions. Nano Letters. 24(2), 703–707.
  mla: Dalmieda, Johnson, et al. “Solvent-Mediated Modulation of the Au–S Bond in
    Dithiol Molecular Junctions.” <i>Nano Letters</i>, vol. 24, no. 2, American Chemical
    Society, 2024, pp. 703–07, doi:<a href="https://doi.org/10.1021/acs.nanolett.3c04058">10.1021/acs.nanolett.3c04058</a>.
  short: J. Dalmieda, W. Shi, L. Li, L. Venkataraman, Nano Letters 24 (2024) 703–707.
date_created: 2024-09-06T12:46:39Z
date_published: 2024-01-04T00:00:00Z
date_updated: 2024-11-19T12:50:27Z
day: '04'
doi: 10.1021/acs.nanolett.3c04058
extern: '1'
external_id:
  pmid:
  - '38175934'
intvolume: '        24'
issue: '2'
language:
- iso: eng
month: '01'
oa_version: None
page: 703-707
pmid: 1
publication: Nano Letters
publication_identifier:
  eissn:
  - 1530-6992
  issn:
  - 1530-6984
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Solvent-mediated modulation of the Au–S bond in dithiol molecular junctions
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 24
year: '2024'
...