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

Autor:	Harutyunyan, Hasmik, Callsen, Martin, Allmers, Tobias, Caciuc, Vasile, Blügel, Stefan, Atodiresei, Nicolae, Wegner, Daniel
Rok vydání:	2013
Předmět:	Condensed Matter - Mesoscale and Nanoscale Physics
Zdroj:	Chemical Communications 49, 5993 (2013)
Druh dokumentu:	Working Paper
DOI:	10.1039/C3CC42574F
Popis:	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. Comment: Accepted for publication in Chemical Communications. Main article: 6 pages, 2 figures; Supplementary Information: 4 pages, 3 figures, 1 table. All in one file
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/1305.5125 Zobrazit plný text záznamu View this record from Arxiv