Studies on the Q-Branch Spectral Lines of High-Lying Rovibrational Transitions of Diatomic System
FU Jia1, SUN Wei-guo2, 3*, LI Hui-dong3, FAN Qun-chao2, ZHANG Yi1, FENG Hao2
1. School of Physics, Sichuan University, Chengdu 610065, China 2. Research Center for Advanced Computation, School of Physics and Chemistry, Xihua University, Chengdu 610039, China 3. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China
Abstract：An analytical formula was proposed recently to predict the accurate P-branch spectral lines of rovibrational transitions for diatomic systems by taking multiple spectral differences. A similar analytical expression was suggested here to predict the Q-branch spectral lines of rovibrational transitions. This formula was applied to study the high-lying Q-branch emission spectra of the (4,1) and (3,1) bands of the A1Π—X1Σ+ system of IrN molecule using fifteen known accurate experimental transition data. The results show that not only the known experimental transition lines were reproduced but also the correct values of the unknown spectral lines were predicted.
付 佳1，孙卫国2, 3*，李会东3，樊群超2，张 燚1，冯 灏2. 精确预言双原子分子Q线系高振转激发态的跃迁谱线[J]. 光谱学与光谱分析, 2012, 32(04): 865-870.
FU Jia1, SUN Wei-guo2, 3*, LI Hui-dong3, FAN Qun-chao2, ZHANG Yi1, FENG Hao2. Studies on the Q-Branch Spectral Lines of High-Lying Rovibrational Transitions of Diatomic System. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2012, 32(04): 865-870.
[1] Van Groenendael A, Tudorie M, Focsa C, et al. J. Mol. Spectrosc., 2005, 234: 255. [2] Hübner M, Castillo M, Davies P B, et al. Spectrochim. Acta A., 2005, 61: 57. [3] Merritt J M, Bondybey V E, Heaven M C. Science, 2009, 324: 1548. [4] Bernath P F. Science, 2009, 324: 1526. [5] FAN Qun-chao, SUN Wei-guo, QU Shuang-shuang(樊群超, 孙卫国, 渠双双). Acta Phys. Sin.(物理学报), 2008, 57: 4110. [6] Mishra A P, Shetty B J, Kshirsagar R J. J. Mol. Spectrosc., 2005, 232: 296. [7] Saksena M D, Deo M N, Sunanda K. J. Mol. Spectrosc., 2002, 216: 72. [8] Wilson Catherine, Brown J M. J. Mol. Spectrosc., 1999, 197: 188. [9] Yang X H, Ben J W, Li L, et al. J. Quan. Spec. & Radia. Trans., 2008, 109: 468. [10] Pachucki K, Komasa J. J. Chem. Phys., 2009, 130: 164113. [11] Gonza’lez-Fe’rez1 R, Schmelcher P. Phys. Rev. A, 2004, 69: 023402. [12] Sun Weiguo, Fan Qunchao, Li Huidong, et al. Spectrochim Acta A, 2011, 79: 35. [13] Mizushima M. The Theory of Rotating Diatomic Molecules(University of Colorado). New York: Wiley, 1975. [14] Ram R S, Bernath P F. J. Mol. Spectrosc., 1999, 193: 363. [15] Mitin A V. J. Comput. Chem., 1998, 19:94. [16] Herzeberg G. Molecular Spectra and Molecular Structure Ⅰ. Spectra of Diatomic Molecules. New York: Van Nostrand, 3rd Printing, 1953.
