The rotational dependence of purely vibrational anharmonic resonances |
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| Affiliation: | 1. Department of Physics, Guru Jambheshwar University of Science & Technology, Hisar, 125001, India;2. Materials and Device Laboratory, Department of Physics, Indian Institute of Technology Indore, Simrol, Indore, 453552, India;3. Centre for Advanced Electronics, Indian Institute of Technology Indore, Simrol, Indore, 453552, India;1. School of Molecular Sciences, Arizona State University, Tempe, AZ, 85287, USA;2. Department of Chemical Sciences, University of Padova, Via Marzolo 1, I-35131, Padova, Italy;3. School of Earth and Science Exploration, Arizona State University, Tempe, AZ, 85287, USA;4. Applied Physics and Materials Science Department, Northern Arizona University, 624 S. Knoles Dr., Flagstaff, AZ, 86011, USA;1. Micro and Nanostructured Materials Laboratory - NanoLab, Department of Energy, Politecnico di Milano, via Ponzio 34/3, I-20133, Milano, Italy;2. Department of Chemistry, Materials and Chemical Engineering Giulio Natta, Politecnico di Milano, Piazza Leonardo da Vinci 32, I-20133, Milano, Italy;3. Elettra Sincrotrone Trieste, S.S. 114 km 163.5, Basovizza, 34149, Trieste, Italy;1. Instituto Federal de Educação, Ciência e Tecnologia do Ceará - IFCE, Caucaia, Ceará, 61609-090 Brazil;2. Departamento de Física, Universidade Federal do Ceará, Fortaleza, Ceará, 60455-900 Brazil;3. Departamento de Física, Universidade Federal do Piauí, Teresina, Piauí 64049-550 Brazil;4. Instituto Federal de Educação, Ciência e Tecnologia do Ceará - IFCE, Morada Nova, Ceará, 62940-000 Brazil;5. Université de Lyon, F-69000 Lyon, France and Institut Lumiére Matiére, CNRS, UMR 5306, Université Lyon 1, F-69622 Villeurbanne, France;6. Department of Polymer Engineering, Graduate School, School of Polymer Science and Engineering & Alan G. MacDiarmid Energy Research Institute, Chonnam National University, 77 Yongbong-ro, Buk-gu, Gwangju 61186, Republic of Korea;7. Faculty of Engineering, Shinshu University, 4-17-1 Wakasato, Nagano-shi 380-8553, Japan;1. Hunan Key Laboratory of Super-microstructure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha, 410083, PR China;2. Key Laboratory for Micro/Nano Optoelectronic Devices of Ministry of Education, Hunan Provincial Key Laboratory of Low-Dimensional Structural Physics and Devices, School of Physics and Electronics, Hunan University, Changsha, 410082, PR China;3. Physics Department, Shaoxing University, Shaoxing, 312000, PR China;4. Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, 239 Zhangheng Road, Pudong New Area, Shanghai, 201204, PR China |
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| Abstract: | Despite the fact that purely vibrational anharmonic resonances are diagonal in all rotational quantum numbers, it is now recognized that there may be a slight rotational dependence of the off-diagonal matrix element and that such dependence has important effects on the vibration-rotation spectrum. The effect has previously been treated empirically and numerical estimates obtained for the J-dependent terms in the Fermi resonances in a number of linear triatomic molecules. The calculation of these J-dependent terms using first-order anharmonic wavefunctions is now described and the results are compared with the experimental values in the cases of CO2 and CS2. |
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