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Antiaromaticity in bare deltahedral silicon clusters satisfying Wade's and Hirsch's rules: an apparent correlation of antiaromaticity with high symmetry.
MedLine Citation:
PMID:  14719916     Owner:  NLM     Status:  PubMed-not-MEDLINE    
Abstract/OtherAbstract:
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.
Authors:
R Bruce King; Thomas Heine; Clémence Corminboeuf; Paul v R Schleyer
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Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  Journal of the American Chemical Society     Volume:  126     ISSN:  0002-7863     ISO Abbreviation:  J. Am. Chem. Soc.     Publication Date:  2004 Jan 
Date Detail:
Created Date:  2004-01-14     Completed Date:  2004-05-04     Revised Date:  2008-01-17    
Medline Journal Info:
Nlm Unique ID:  7503056     Medline TA:  J Am Chem Soc     Country:  United States    
Other Details:
Languages:  eng     Pagination:  430-1     Citation Subset:  -    
Affiliation:
Department of Chemistry and Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602, USA. rbking@sunchem.chem.uga.edu
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