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arXiv · 1305.5125

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

Hasmik Harutyunyan·Martin Callsen·Tobias Allmers·Vasile Caciuc·Stefan Blügel·Nicolae Atodiresei·Daniel Wegner
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Abstract

We demonstrate that cyclooctatetraene (COT) can be stabilised in different conformations when adsorbed on different noble-metal surfaces due to varying molecule-substrate interaction. 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.

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Hasmik Harutyunyan, Martin Callsen, Tobias Allmers, Vasile Caciuc, Stefan Blügel, Nicolae Atodiresei, Daniel Wegner. 2013-05-22. Hybridisation at the organic-metal interface: a surface-scientific analogue of Hückel's rule?. https://doi.org/10.1039/c3cc42574f

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