Title of article
CONFORMATIONAL MOBILITY OF 4,4-BISDIMETHYL - AMINOBENZOPHENONE IN THE EXCITED STATE
Author/Authors
Shcherban، T.P. نويسنده , , Granchak، V.M. نويسنده , , Sakhno، T.V. نويسنده , , Khakhel، O.A. نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2005
Pages
5
From page
198
To page
202
Abstract
Quantum-chemical calculations on various conformational states of the molecule of Michler’s ketone have been carried out by semi-empirical and non-empirical methods (HyperChem 7.0 suite of programs and Gaussian 98). The influence of solvation on the relative levels of different orbital types and on the spin states of the molecule has been examined. The possibility of the TICT process occurring in polar media, which may have an important effect on the spectral characteristics of Michler’s ketone, has been investigated.
Keywords
the PM3 method , the TICT process , Michler’s ketone , solvation energy
Journal title
Theoretical and Experimental Chemistry
Serial Year
2005
Journal title
Theoretical and Experimental Chemistry
Record number
122450
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