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Theoretical study of the P-branch spectral lines in d1+b1+ electronic state transition of NbN molecule

Wang Qi Fan Qun-Chao Sun Wei-Guo Feng Hao

Theoretical study of the P-branch spectral lines in d1+b1+ electronic state transition of NbN molecule

Wang Qi, Fan Qun-Chao, Sun Wei-Guo, Feng Hao
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  • The accurate P-branch spectral lines of high-lying rotational quantum states of (1,1) band in d1+b1+ electronic state transition of NbN molecule are obtained in this work using the analytical formula proposed in Sun's previous work. The formula not only reproduces all known experimental spectral lines excellently, but also generates the correct values of the unknown spectral lines up to J=80 that are unavailable experimentally for this band.
    • Funds: Project supported by the National Natural Science Foundation of China (Grant No. 11074204), the Research Fund of Key Disciplines of Atomic and Molecular Physics, the fund of Key Laboratory of Advanced Scientific Computation, and the Innovation Fund of Postgraduate, Xihua University, China.
    [1]

    Huang Y, Qi J, Pechkis H K,Wang D, Eyler E E, Gould P L, Stwalley W C 2006 J. Phys. B: At. Mol. Opt. Phys. 39 S857

    [2]

    Li H, Focsa C, Pinchemel B, Le Roy R J, Bernath P F 2000 J. Chem. Phys. 113 3026

    [3]

    Lang F,Winkler K, Strauss C, GrimmR, Denschlag J H 2008 Phys. Rev. Lett. 101 133005

    [4]

    Ekey R C, Jr., Marks A, McCormack E F 2006 Phys. Rev. A 73 023412

    [5]

    Herzeberg G 1953 Molecular spectra, and molecular structure I. Spectra of diatomic molecules, Nostrand D Van. 3rd Printing

    [6]

    Zare R N, Dagdigian P J 1974 Science. 185 739

    [7]

    Chamberlain J E , Gebbie H A, Pardoe GWF,Mansel Davies 1968 Chem. Phys. Lett. 1 523

    [8]

    Ram R S, Bernath P F, Davis S P, Merer A J 2002 J. Mol. Spectro. 211 279

    [9]

    Wang R J, Chen Y Q, Cai P P, Lu J J, Bi Z Y, Yang X H, Ma L S 1999 Chem. Phys. Lett. 307 339

    [10]

    Bées A, Mitchell S A, Zgierski M Z 1998 J. Phys. Chem. 102 6340

    [11]

    Sellers H 1990 J. Phys. Chem. 94 1338

    [12]

    Fletcher D A, Dai D, Steimle T C, Balasubramanian K 1993 J. Chem. Phys. 99 9324

    [13]

    Langhoff S R, Bauschlicher Jr C W 1990 J. Mol. Spectrosc. 143 169

    [14]

    Sun W G, Fan Q C, Li H D, Feng H 2011 Spectrochim. Acta, Part A 79 35

    [15]

    Fan Q C, Sun W G, Li H D, Feng H 2011 Acta Phys. Sin. 60 063301 (in Chinese) [樊群超, 孙卫国, 李会东, 冯灏 2011 物理学报 60 063301]

    [16]

    Ram R S, Bernath P F 2000 J. Mol. Spectro. 201 267

    [17]

    Ram R S, Bernath P F 2007 J. Mol. Spectro. 243 62

  • [1]

    Huang Y, Qi J, Pechkis H K,Wang D, Eyler E E, Gould P L, Stwalley W C 2006 J. Phys. B: At. Mol. Opt. Phys. 39 S857

    [2]

    Li H, Focsa C, Pinchemel B, Le Roy R J, Bernath P F 2000 J. Chem. Phys. 113 3026

    [3]

    Lang F,Winkler K, Strauss C, GrimmR, Denschlag J H 2008 Phys. Rev. Lett. 101 133005

    [4]

    Ekey R C, Jr., Marks A, McCormack E F 2006 Phys. Rev. A 73 023412

    [5]

    Herzeberg G 1953 Molecular spectra, and molecular structure I. Spectra of diatomic molecules, Nostrand D Van. 3rd Printing

    [6]

    Zare R N, Dagdigian P J 1974 Science. 185 739

    [7]

    Chamberlain J E , Gebbie H A, Pardoe GWF,Mansel Davies 1968 Chem. Phys. Lett. 1 523

    [8]

    Ram R S, Bernath P F, Davis S P, Merer A J 2002 J. Mol. Spectro. 211 279

    [9]

    Wang R J, Chen Y Q, Cai P P, Lu J J, Bi Z Y, Yang X H, Ma L S 1999 Chem. Phys. Lett. 307 339

    [10]

    Bées A, Mitchell S A, Zgierski M Z 1998 J. Phys. Chem. 102 6340

    [11]

    Sellers H 1990 J. Phys. Chem. 94 1338

    [12]

    Fletcher D A, Dai D, Steimle T C, Balasubramanian K 1993 J. Chem. Phys. 99 9324

    [13]

    Langhoff S R, Bauschlicher Jr C W 1990 J. Mol. Spectrosc. 143 169

    [14]

    Sun W G, Fan Q C, Li H D, Feng H 2011 Spectrochim. Acta, Part A 79 35

    [15]

    Fan Q C, Sun W G, Li H D, Feng H 2011 Acta Phys. Sin. 60 063301 (in Chinese) [樊群超, 孙卫国, 李会东, 冯灏 2011 物理学报 60 063301]

    [16]

    Ram R S, Bernath P F 2000 J. Mol. Spectro. 201 267

    [17]

    Ram R S, Bernath P F 2007 J. Mol. Spectro. 243 62

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  • Received Date:  28 March 2011
  • Accepted Date:  06 May 2011
  • Published Online:  15 April 2012

Theoretical study of the P-branch spectral lines in d1+b1+ electronic state transition of NbN molecule

  • 1. School of Material Science and Engineering, Research Center for Advanced Computation Xihua University, Chengdu 610039, China;
  • 2. School of Physics and Chemistry, Research Center for Advanced Computation, Xihua University, Chengdu 610039, China;
  • 3. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China
Fund Project:  Project supported by the National Natural Science Foundation of China (Grant No. 11074204), the Research Fund of Key Disciplines of Atomic and Molecular Physics, the fund of Key Laboratory of Advanced Scientific Computation, and the Innovation Fund of Postgraduate, Xihua University, China.

Abstract: The accurate P-branch spectral lines of high-lying rotational quantum states of (1,1) band in d1+b1+ electronic state transition of NbN molecule are obtained in this work using the analytical formula proposed in Sun's previous work. The formula not only reproduces all known experimental spectral lines excellently, but also generates the correct values of the unknown spectral lines up to J=80 that are unavailable experimentally for this band.

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