Electron molecular vibration coupling in vibrational spectra of BEDT-TTF based radical cation salts |
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| Affiliation: | 1. Graduate School of Science, Kobe University, 1-1 Rokkodai-cho, Nada, Kobe 657-8501, Japan;2. Organization of Advanced Science and Technology, Kobe University, 1-1 Rokkodai-cho, Nada, Kobe 657-8501, Japan;3. Molecular Photoscience Research Center, Kobe University, 1-1 Rokkodai-cho, Nada, Kobe 657-8501, Japan;1. Laboratoire de Chimie des Matériaux et des Vivants: Activité & Réactivité (LCMVAR), Département chimie, Faculté des Sciences de la Matière, Université de Batna 1, Algeria;2. Laboratoire de chimie moléculaire et environnement (LMCE), Université M. Khider Biskra, Algeria;1. Soft I/O Interface Research Section, Electronics and Telecommunications Research Inst. (ETRI), Daejeon, Republic of Korea;2. University of Science and Technology, Daejeon, Republic of Korea;3. Dept. of Electrical Engineering, Korean Advanced Inst. of Science and Technology, Daejeon, Republic of Korea;4. Dept. of Physics, Kyung Hee University, Seoul, Republic of Korea |
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| Abstract: | The i.r. and Raman spectra of monovalent bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) based charge transfer salts were investigated. The assignment of the fundamental vibrations of the BEDT-TTF radical cation, the identification of the frequency shifts following the ionization of the molecule, and an interpretation of the vibronic bands revealed in the i.r. spectra of these compounds are reported. A normal coordinate analysis together with a semiempirical MNDO calculation of the radical cation electronic structure were used to obtain the electron-molecular vibration coupling constants. The calculated values are in good agreement with the experimental data. |
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