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Hybridisation at the organic-metal interface: a surface-scientific analogue of H\"uckel's rule?

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arxiv 1305.5125 v1 pith:2THK25OB submitted 2013-05-22 cond-mat.mes-hall

Hasmik Harutyunyan , Martin Callsen , Tobias Allmers , Vasile Caciuc , Stefan Blügel , Nicolae Atodiresei , Daniel Wegner This is my paper · ORCID
classification cond-mat.mes-hall
keywords chargedifferenthybridisationinterfaceorganic-metalruletransferuckel
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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 H\"uckel'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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