TY - JOUR
T1 - Antiaromaticity in Bare Deltahedral Silicon Clusters Satisfying Wade's and Hirsch's Rules
T2 - An Apparent Correlation of Antiaromaticity with High Symmetry
AU - King, R. Bruce
AU - Heine, Thomas
AU - Corminboeuf, Clémence
AU - Schleyer, Paul V.R.
PY - 2004/1/21
Y1 - 2004/1/21
N2 - 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.
AB - 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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U2 - 10.1021/ja036259+
DO - 10.1021/ja036259+
M3 - Article
C2 - 14719916
AN - SCOPUS:0346456941
SN - 0002-7863
VL - 126
SP - 430
EP - 431
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
IS - 2
ER -