Quantum Chemical Calculation of the Spectral Luminescent and Physicochemical Properties of Anisidines |
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| Authors: | V Ya Artyukhov A V Morev |
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| Institution: | (1) V. D. Kuznetsov Siberian Physical Technical Institute, Tomsk State University, 1 Novosobornaya Sq., Tomsk, 634050, Russia |
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| Abstract: | The influence of the position of a methoxy group in the phenyl radical of aniline on the spectral, geometric, and photophysical characteristics, and also on the proton-donating and proton-accepting properties of the free molecules of o-, m-, and p-anisidines is investigated by the methods of electron spectroscopy and quantum chemistry. The energy levels of the singlet and triplet states of anisidines are calculated. For all the anisidines the band in the intermediate spectral region is shown to be formed by two electron transitions of the  *- and  * type of different intensity. |
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| Keywords: | electronic excited state quantum chemistry rate constants of photophysical processes substituted anilines |
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