Molecular orbital calculations of binuclear systems of Fe, Co and Ni derivatives of pentalene, s-indacene and as-indacene

Garland M.T.; Saillard J.-Y.; Chavez, I; Oelckers, B; ManrÍquez J.M.

Abstract

Extended Hückel calculations on a whole family of dinuclear complexes of pentalene, s-indacene and as-indacene allow a general rationalization of the structural and physical features of these compounds, mainly based on their electron count.

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Título de la Revista: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Volumen: 390
Número: 1-3
Editorial: ELSEVIER SCIENCE BV
Fecha de publicación: 1997
Página de inicio: 199
Página final: 208
URL: http://www.scopus.com/inward/record.url?eid=2-s2.0-0002087958&partnerID=q2rCbXpz