Torsion-vibration interaction in CH3OH |
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| Institution: | 1. Department of Physics, Faculty of Sciences, Pamukkale University, Denizli, Turkey;2. Institute Pascal, UMR 6602 CNRS, Clermont-Auvergne University, Aubière Cedex, France;1. State Key Laboratory of Silicate Materials for Architectures, School of Materials Science and Engineering, Wuhan University of Technology, Wuhan 430070, China;2. Laboratory of Environmental Science and Technology, Xinjiang Technical Institute of Physics & Chemistry, Key Laboratory of Functional Materials and Devices for Special Environments, Chinese Academy of Sciences, Urumqi 830011, China;3. University of Chinese Academy of Sciences, Beijing 100049, China |
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| Abstract: | The strong torsion-vibration interaction in CH3OH has traditionally been dealt with by letting the torsional barrier height depend on vibrational excitation, and letting the vibrational energy depend on torsional excitation. By including an explicit interaction term in the Hamiltonian this is avoided, and apart from an anomaly which is presumably caused by the OH bending mode, the relative location of the vibrational ground state and the CO stretch state is well reproduced for torsional states n = 0, 1, and 2 by adjusting a single interaction constant. |
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