Antiaromaticity in bare deltahedral silicon clusters satisfying Wade's and Hirsch's rules: an apparent correlation of antiaromaticity with high symmetry期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Antiaromaticity in bare deltahedral silicon clusters satisfying Wade's and Hirsch's rules: an apparent correlation of antiaromaticity with high symmetry

Authors:	King R Bruce Heine Thomas Corminboeuf Clémence Schleyer Paul v R

Affiliation:	Department of Chemistry and Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602, USA. rbking@sunchem.chem.uga.edu

Abstract:	Entirely unlike the aromatic closo BnHn2- borane dianions, isoelectronic Si62- and Si122- are antiaromatic. Their Oh and Ih symmetries are responsible, as the other deltahedral silicon dianion clusters do not exhibit this behavior. These high symmetries prevent mixing among the degenerate lone pair and skeletal orbitals, leading to paratropic behavior.

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