Antiaromaticity in Bare Deltahedral Silicon Clusters Satisfying Wade's and Hirsch's Rules: An Apparent Correlation of Antiaromaticity with High Symmetry | Zendy

R. Bruce King | Zendy; Thomas Heine | Zendy; Clémence Corminbœuf | Zendy; Paul von Ragué Schleyer | Zendy

Open Access

Antiaromaticity in Bare Deltahedral Silicon Clusters Satisfying Wade's and Hirsch's Rules: An Apparent Correlation of Antiaromaticity with High Symmetry

Author(s) -

R. Bruce King,

Thomas Heine,

Clémence Corminbœuf,

Paul von Ragué Schleyer

Publication year - 2003

Publication title -

journal of the american chemical society

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 7.115

H-Index - 612

eISSN - 1520-5126

pISSN - 0002-7863

DOI - 10.1021/ja036259+

Subject(s) - antiaromaticity , chemistry , borane , carborane , symmetry (geometry) , silicon , atomic orbital , degenerate energy levels , computational chemistry , crystallography , aromaticity , stereochemistry , molecule , quantum mechanics , organic chemistry , physics , electron , geometry , mathematics , catalysis

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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