Antiaromaticity in Bare Deltahedral Silicon Clusters Satisfying Wade's and Hirsch's Rules: An Apparent Correlation of Antiaromaticity with High Symmetry
King, R. Bruce; Heine, Thomas; Corminboeuf, Clemence; Schleyer, Paul von Rague
2004

Abstract

Entirely unlike the arom. closo B6H62- and B12H122- borane dianions, isoelectronic Si62- and Si122- are antiarom. 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. [on SciFinder (R)]

Details

Title Antiaromaticity in Bare Deltahedral Silicon Clusters Satisfying Wade's and Hirsch's Rules: An Apparent Correlation of Antiaromaticity with High Symmetry
Author(s) King, R. Bruce ; Heine, Thomas ; Corminboeuf, Clemence ; Schleyer, Paul von Rague
Published in Journal of the American Chemical Society
Volume 126
Issue 2
Pages 430-431
Date 2004
Keywords
Note CAN 140:187674 65-2 General Physical Chemistry Department of Chemistry and Center for Computational Quantum Chemistry,University of Georgia,Athens,GA,USA. Journal 0002-7863 written in English. 211300-86-6 (Silicon ion (Si62-); 531508-90-4 (Silicon ion (Si122-) Role: PRP (Properties) (antiaromaticity in bare deltahedral silicon clusters satisfying Wade's and Hirsch's rules)
DOI https://doi.org/10.1021/ja036259+
Laboratories LCMD
Record Appears in Scientific production and competences > SB - School of Basic Sciences > ISIC - Institute of Chemical Sciences and Engineering > LCMD - Laboratory of Computational Molecular Design
Peer-reviewed publications
Work outside EPFL
Journal Articles
Published
Record creation date 2007-10-22

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