The anchoring of molecular wires to the electrodes is a prerequisite for addressing charge transport in molecular components and devices.
Employing an STM-based beak junction and a mechanically controlled break junction (MCBJ) set-up, we investigated tolane-type single molecular junctions having four different anchoring groups experimentally in combination with DFT-based transport simulations. The most efficient electronic coupling and contact geometry were found for the pyridyl-terminated molecular wires.

This work was carried out by Wenjing Hong and Pavel Moreno García in the group of Prof. Thomas Wandlowski.

References:

• W. Hong, D. Z. Manrique, P. Moreno-García, M. Gulcur, A. Mishchenko, C. J. Lambert, M. R. Bryce, T. Wandlowski;
  "Single Molecular Conductance of Tolanes: An Experimental and Theoretical Study on the Junction Evolution in Dependence on the Anchoring Group"
  J. Am. Chem. Soc., 134, 2292–2304, (2012); doi:10.1021/ja209844r.