Stabilization of acepentalene by coordination to transition metals: A DFT investigation

Vega A.; Saillard, JY

Abstract

The possibility of stabilizing the unstable acepentalene (acp) molecule through coordination to transition metals is investigated by means of DFT calculations. Comparison with related experimentally known pentalene complexes indicate that their acp homologues are just slightly less stable, suggesting that they could be synthesized and isolated. Other original mono- and trinuclear species, such as M(acp)2 (M = Zr, Hf), Co3(acp) 2 -, and Nb3(acp)2 +, are also predicted to be stable. © 2007 American Chemical Society.

Más información

Título según WOS: Stabilization of acepentalene by coordination to transition metals: A DFT investigation
Título según SCOPUS: Stabilization of acepentalene by coordination to transition metals: A DFT investigation
Título de la Revista: INORGANIC CHEMISTRY
Volumen: 46
Número: 8
Editorial: AMER CHEMICAL SOC
Fecha de publicación: 2007
Página de inicio: 3295
Página final: 3300
Idioma: English
URL: http://pubs.acs.org/doi/abs/10.1021/ic070083l
DOI:

10.1021/ic070083l

Notas: ISI, SCOPUS