Single Molecular Conductance of Tolanes: Experimental and Theoretical Study on the Junction Evolution Dependent on the Anchoring Group
2011; American Chemical Society; Volume: 134; Issue: 4 Linguagem: Inglês
10.1021/ja209844r
ISSN1943-2984
AutoresWenjing Hong, David Zsolt Manrique, Pavel Moreno‐García, Murat Gülçür, Artem Mishchenko, Colin J. Lambert, Martin R. Bryce, Thomas Wandlowski,
Tópico(s)Electrochemical Analysis and Applications
ResumoEmploying 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), NH(2), 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 > NH(2) > 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.
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