All-Metal Aromatic Clusters M42– (M = B, Al, and Ga). Are π-Electrons Distortive or Not?

J. Poater, F. Feixas, F.M. Bickelhaupt, M. Sola

Research output: Contribution to JournalArticleAcademicpeer-review

Abstract

The π-electrons in benzene, the quintessential aromatic molecule, were previously shown to be distortive, i.e., they prefer localized double bonds alternating with single bonds. It is the σ-electrons that force the double bonds to delocalize, leading to a regular, D
Original languageEnglish
Pages (from-to)20673-20681
JournalPhysical Chemistry Chemical Physics - PCCP
Volume13
DOIs
Publication statusPublished - 2011

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