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O: Fachverband Oberflächenphysik

O 36: Posters: Bio/organic Molecules on Surfaces, Graphene, Solid/liquid interfaces, Metal Substrates, Electronic Structure Theory

O 36.96: Poster

Dienstag, 1. April 2014, 18:30–22:00, P1

Electronic communication through molecular bridges — •Jonny Proppe and Carmen Herrmann — Institute of Inorganic and Applied Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg, Germany

Various areas of scientific research focus on the concept of electronic communication through molecular bridges as it plays a major role in potentially innovative future devices and as an academic challenge due to its diverse manifestations, in particular exchange coupling between spin centers and macroscopic electrodes connected by single molecules. Recent results suggest a correlation between both mechanisms of communication in certain cases, which is supported by molecular orbital arguments [1,2]. While Ref. [1] provides a first overview, we systematically compare trends and aim at deriving rules to identify instances in which it is possible to transfer knowledge between the areas of molecular magnetism and molecular electronics. For this purpose, we study the influence of chemical modification on the electronic communication of organic diradicals and dithiols. We find that the energy gap between magnetic orbitals in diradicals correlates with the HOMO/LUMO energy gap in dithiols, both affecting the mechanisms of electronic communication. Thus, for certain bridges the kind of exchange spin coupling (either ferromagnetic or anti-ferromagnetic) may determine the conductance for a given molecular structure and vice versa.

[1] C. Herrmann, J. Elmisz, Chem. Commun. 2013, 49, 10456.

[2] M. L. Kirk, D. A. Shultz, D. E. Stasiw, D. Habel-Rodriguez, B. Stein, P. D. Boyle, J. Am. Chem. Soc. 2013, 135, 14713.