Single-Molecule Junctions Based on Nitrile-Terminated Biphenyls: A Promising New Anchoring Group

Mishchenko, Artem; Zotti, Linda A.; Vonlanthen, David; Bürkle, Marius; Pauly, Fabian; Cuevas, Juan Carlos; Mayor, Marcel; Wandlowski, Thomas (2011). Single-Molecule Junctions Based on Nitrile-Terminated Biphenyls: A Promising New Anchoring Group. Journal of the American Chemical Society, 133(2), pp. 184-187. Washington, D.C.: American Chemical Society 10.1021/ja107340t

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We present a combined experimental and theoretical study of the electronic transport through single-molecule junctions based on nitrile-terminated biphenyl derivatives. Using a scanning tunneling microscope-based break-junction technique, we show that the nitrile-terminated compounds give rise to well-defined peaks in the conductance histograms resulting from the high selectivity of the N-Au binding. Ab initio calculations have revealed that the transport takes place through the tail of the LUMO. Furthermore, we have found both theoretically and experimentally that the conductance of the molecular junctions is roughly proportional to the square of the cosine of the torsion angle between the two benzene rings of the biphenyl core, which demonstrates the robustness of this structure-conductance relationship.

Item Type:

Journal Article (Original Article)

Division/Institute:

08 Faculty of Science > Department of Chemistry, Biochemistry and Pharmaceutical Sciences (DCBP)

UniBE Contributor:

Wandlowski, Thomas

ISSN:

0002-7863

Publisher:

American Chemical Society

Language:

English

Submitter:

Factscience Import

Date Deposited:

04 Oct 2013 14:26

Last Modified:

05 Dec 2022 14:07

Publisher DOI:

10.1021/ja107340t

Web of Science ID:

000286544900006

URI:

https://boris.unibe.ch/id/eprint/9296 (FactScience: 214994)

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