Conformational Mobility of 4,4′-Bisdimethyl-Aminobenzophenone in the Excited State.
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Date
2005
Authors
Ромашко, Таміла Петрівна
Journal Title
Journal ISSN
Volume Title
Publisher
Springer
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.
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Keywords
Michler’s ketone, the TICT process,
Citation
Shcherban’ T. P., Granchak V. M., Sakhno T. V.. Khakhel’ O. A. (2005) Conformational Mobility of 4,4′-Bisdimethyl-Aminobenzophenone in the Excited State. Theoretical and Experimental Chemistry, 41(3), 198-202