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Electron–phonon coupling detection in infrared spectra of ion–radical salts based on dibenztetrathiofulvalen

✍ Scribed by V. A. Starodub; T. B. Drushlyak; L. A. Sleta

Publisher: John Wiley and Sons
Year: 1983
Tongue: English
Weight: 466 KB
Volume: 24
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560240203

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✦ Synopsis

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 symmetrical vibrations of DBTTF. The results obtained are in good agreement with the experimental data on IR spectra of DBTTF‐based cation–radical salts.

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