Antiaromaticity in Bare Deltahedral Silicon Clusters Satisfying Wade's and Hirsch's Rules: An Apparent Correlation of Antiaromaticity with High Symmetry
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
LUMO (HOMO gap; antiaromaticity in bare deltahedral silicon clusters satisfying Wade's and Hirsch's rules); HOMO (LUMO gap; antiaromaticity in bare deltahedral silicon clusters satisfying Wade's and Hirsch's rules); Antiaromaticity; Molecular structure-property relationship (antiaromaticity in bare deltahedral silicon clusters satisfying Wade's and Hirsch's rules); NMR (chem. shift; antiaromaticity in bare deltahedral silicon clusters satisfying Wade's and Hirsch's rules); antiaromaticity silicon cluster Wade Hirsch rule symmetry
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)
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
Peer-reviewed publications
Work outside EPFL
Journal Articles
Published
Record creation date
2007-10-22