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

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.