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Algebraic Study of the Vibrational Levels and Potential Energy Surface of the Excited Electronic State (C^1A') for S2O

Algebraic Study of the Vibrational Levels and Potential Energy Surface of the Excited Electronic State (C^1A') for S2O
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摘要 The vibrational levels and potential energy surface of a stable structure for S2O in the excited electronic states C^1A' were carried out with algebraic method. The vibrational spectra were obtained (with total quantum number v=20) by fitting 30 spectra data. The fitted rms(root mean square) error based on the Hamiltonian witb 9 parameters was 2.40 cm^-1. The dissociation energy and force constant were also determined by the analytical potential energy surface. The method is proved to be effective by comparing these results with the experimental data.
出处 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 北大核心 2006年第1期43-46,共4页 化学物理学报(英文)
基金 This work Was supported by the National Natural Science Foundation of China(NSFCNo.10474050).
关键词 S2O3 Energy level Potential energy surface 代数研究 S2O3 氧化硫 能极 势能 电子态 光谱分析 S2O
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  • 1P.W.Schenk and Z.Anorg.Allg.Chem.211,150(1933).
  • 2F.Takayuki and J.Robert,Theor.Chim.Acta.73,123(1988).
  • 3Q.Zhang,P.Dupre,B.Grzybowski,et al.J.Chem.Phys.103,67 (1995).
  • 4T.Müller and P.H.Vaccaro,J.Chem.Phys.15,5038(1999).
  • 5F.Iachello and R.D.Levine,Algebraic Theory of Molecules,Oxford:Oxford Universicty,1994.90
  • 6B.G.Wybourne,Translated by Feng Cheng-Tian.Classical Groups and Their Application in Physics,Beijing:Science Press,295 (1982).
  • 7F.Iachello and R.D.Levine,J.Chem.Phys.77,3046(1982).
  • 8Y.J.Zheng and S.L.Ding,Science in China (Series B),30,183 (2000).
  • 9G.Herzberg,Infrared and Raman Spectra of Polyatomic Molecules,New York:Van Nostrand,230 (1950).
  • 10O.S.Van Roosmalen,F.Iachello,R.D.Levine,et al.J.Chem.Phys.79,2525 (1983).

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