Issue 53, 2013
From the journal:

Chemical Communications

Hybridisation at the organic–metal interface: a surface-scientific analogue of Hückel's rule?†

Hasmik Harutyunyan,a   Martin Callsen,b   Tobias Allmers,a   Vasile Caciuc,b   Stefan Blügel,b   Nicolae Atodiresei*b  and  Daniel Wegner*a  

* Corresponding authors

a Physikalisches Institut and Center for Nanotechnology (CeNTech), Westfälische Wilhelms-Universität Münster, 48149 Münster, Germany
E-mail: daniel.wegner@uni-muenster.de

b Peter Grünberg Institut (PGI-1) and Institute for Advanced Simulation (IAS-1), Forschungszentrum Jülich and JARA, 52425 Jülich, Germany
E-mail: n.atodiresei@fz-juelich.de

Abstract

We demonstrate that cyclooctatetraene (COT) can be stabilised in different conformations when adsorbed on different noble-metal surfaces due to varying molecule–substrate interactions. While at first glance the behaviour seems to be in accordance with Hückel's rule, a theoretical analysis reveals no significant charge transfer. The driving mechanism for the conformational change is hybridisation at the organic–metal interface and does not necessitate any charge transfer.

Graphical abstract: Hybridisation at the organic–metal interface: a surface-scientific analogue of Hückel's rule?

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Article information

DOI
https://doi.org/10.1039/C3CC42574F
Article type
Communication
Submitted
09 Apr 2013
Accepted
20 May 2013
First published
21 May 2013

Chem. Commun., 2013,49, 5993-5995

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Hybridisation at the organic–metal interface: a surface-scientific analogue of Hückel's rule?

H. Harutyunyan, M. Callsen, T. Allmers, V. Caciuc, S. Blügel, N. Atodiresei and D. Wegner, Chem. Commun., 2013, 49, 5993 DOI: 10.1039/C3CC42574F

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