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

Hong, Wenjing and Manrique, David and Moreno-Garcia, Pavel and Gulcur, Murat and Mishchenko, Artem and Lambert, Colin J. and Bryce, Martin R. and Wandlowski, Thomas (2012) 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. ISSN 0002-7863

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Abstract

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: Article
Journal or Publication Title: Journal of the American Chemical Society
Subjects: Q Science > QC Physics
Departments: Faculty of Science and Technology > Physics
ID Code: 57885
Deposited By: ep_importer_pure
Deposited On: 28 Aug 2012 13:32
Refereed?: Yes
Published?: Published
Last Modified: 10 Apr 2014 00:04
Identification Number:
URI: http://eprints.lancs.ac.uk/id/eprint/57885

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