Title of article
The role of σ and π stabilization in benzene, allyl cation and allyl anion. A canonical orbital energy derivative study
Author/Authors
Gobbi، نويسنده , , Alberto and Yamaguchi، نويسنده , , Yukio and Frenking، نويسنده , , Gernot and Schaefer III، نويسنده , , Henry F.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1995
Pages
5
From page
27
To page
31
Abstract
The orbital energy second derivatives with respect to the CC asymmetric stretchibng mode of benzene, allyl cation and allyl anion show unambigiously that the π orbitals are unstable with respect to a distorted geometry with alternating CC bonds. It is the σ frame which enforces the D6h form of benzene and the C2v form of the allyl anion.
Journal title
Chemical Physics Letters
Serial Year
1995
Journal title
Chemical Physics Letters
Record number
1774860
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