Single Molecular Conductance of Tolanes: Experimental and Theoretical Study on the Junction Evolution Dependent on the Anchoring Group

Hong, Wenjing; Manrique, David Zsolt; Moreno-García, Pavel; Gulcur, Murat; Mishchenko, Artem; Lambert, Colin J.; Bryce, Martin R.; Wandlowski, Thomas (2011). Single Molecular Conductance of Tolanes: Experimental and Theoretical Study on the Junction Evolution Dependent on the Anchoring Group. Journal of the American Chemical Society, 134(4), pp. 2292-2304. American Chemical Society 10.1021/ja209844r

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Employing a scanning tunneling microscopy based beak junction technique and mechanically controlled break junction experiments, we investigated tolane (diphenylacetylene)-type single molecular junctions having four different anchoring groups (SH, pyridyl (PY), NH2, and CN) at a solid/liquid interface. The combination of current–distance and current–voltage measurements and their quantitative statistical analysis revealed the following sequence for junction formation probability and stability: PY > SH > NH2 > CN. For all single molecular junctions investigated, we observed the evolution through multiple junction configurations, with a particularly well-defined binding geometry for PY. The comparison of density functional theory type model calculations and molecular dynamics simulations with the experimental results revealed structure and mechanistic details of the evolution of the different types of (single) molecular junctions upon stretching quantitatively.

Item Type:

Journal Article (Original Article)

Division/Institute:

08 Faculty of Science > Departement of Chemistry and Biochemistry

UniBE Contributor:

Hong, Wenjing; Mishchenko, Artem and Wandlowski, Thomas

Subjects:

500 Science > 570 Life sciences; biology
500 Science > 540 Chemistry

ISSN:

0002-7863

Publisher:

American Chemical Society

Language:

English

Submitter:

Wenjing Hong

Date Deposited:

17 Jan 2014 09:06

Last Modified:

25 Apr 2016 10:23

Publisher DOI:

10.1021/ja209844r

Web of Science ID:

000301084600067

BORIS DOI:

10.7892/boris.39893

URI:

https://boris.unibe.ch/id/eprint/39893

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