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Vibronic and electron-phonon coupling in spectra of substituted polyenes in rigid matrices

✍ Scribed by A. N. Nikitina; I. S. Osadko; I. A. Vasilieva; L. A. Yanovskaya


Publisher
John Wiley and Sons
Year
1983
Tongue
English
Weight
416 KB
Volume
115
Category
Article
ISSN
0370-1972

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✦ Synopsis


Abstract

It is found that the electronic excited state 1^1^B~u~ does not influence the intensity distribution in the electronic 1^1^Ag → 2^1^Ag transition though it is partially allowed. It is determined with the help of the electron‐vibrational interaction theory using the joint analysis of fluorescence spectra and fluorescence excitation spectra of three arylpolyenes in n‐paraffin matrices at 4.2 K. Elastic forces, binding the polyene molecules with the environment, are shown to change in the phototransition.


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## Abstract The electron–phonon coupling constants in a cation radical of dibenztetrathiofulvalen (DBTTF) have been calculated. To calculate the electronic structure of DBTTF in equilibrium and distorted structures use was made of the unrestricted Hartree–Fock method as π‐electron approximation for