Abstract
The vibrational excitations of bent triatomic molecules are studied by using Lie algebra. The RMS error of fitting 30 spectroscopic data is 1.66 cm−1 for SO2. The results show that the expansion of a molecular algebraic Hamiltonian can well describe the experimental data. And the total vibrational levels can be calculated using this Hamiltonian. At the same time, the potential energy surface can also be obtained with the algebraic Hamiltonian.
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References
Amos, R. D., Handy, N. C., Green, W. H. et al., Anharmonic vibrational properties of CH2F2: A comprison of theory and experiment, J. Chem. Phys., 1991, 95: 8323.
Marquardt, R., Quack, M., The wave packet motion and tetramolecular vibrational redistribution in CHX3 molecules under infrared multiphonon excition, J. Chem. Phys., 1991, 95: 4854.
Chen, C. L., Maessen, B., Wolfsberg, M., Vibrational calculations of rotational-vibrational energy levels of water, J. Chem. Phys., 1985, 81: 1795.
Iachello, F., Levine, R. D., Algebraic approach to molecular rotation-vibration spectra. I Diatomic molecules, J. Chem. Phys., 1982, 77: 3046.
van Roosmalen, O. S., Iachello F., Levine R. D. et al., Algebraic approach to molecular rotation-vibration spectra. II Triatomic molecules, J. Chem. Phys., 1983, 79: 2515.
Wybourne, B. G., Classical Groups for Physicists, New York: John Wiley, 1974, 247–256.
Herzberg, G., Infrared and Raman Spectra of Polyatomic Molecules, New York: Van Nostrand, 1950, 136–154.
Kauppi, E., Halonen, L., A simple curvilinear internal coordinate model for vibrational energy levels of hydrogen sulfide and sulfur dioxide, J. Chem. Phys., 1992, 96: 2933.
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Yujun, Z., Shiliang, D. Theoretical study of highly vibrational states of nonlinear triatomic molecules using Lie algebraic approach. Sc. China Ser. B-Chem. 43, 99–104 (2000). https://doi.org/10.1007/BF03028855
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DOI: https://doi.org/10.1007/BF03028855