Title of article :
Local confinement of unpaired electrons in non-Kekuléan benzenoid hydrocarbons
Author/Authors :
Morikawa، نويسنده , , Tetsuo and Narita، نويسنده , , Susumu and Shibuya، نويسنده , , Tai-ichi، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2003
Pages :
5
From page :
191
To page :
195
Abstract :
This note describes how to design a class of benzenoid hydrocarbon radicals, in each of which an unpaired electron of highest occupied molecular orbital (HOMO) is confined locally. Here hexagon-shaped benzenoid hydrocarbons are used as the basic building blocks (units) for the construction of each molecule. This method of confinement is confirmed by the calculations of Hückel MO and of open-shell (SCF) RHF MO with the PPP approximation.
Journal title :
Chemical Physics Letters
Serial Year :
2003
Journal title :
Chemical Physics Letters
Record number :
1784981
Link To Document :
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