Theoretical study of the A1Π-X1Σ+ and E1Σ+-X1Σ+ bands of SiO

被引：11
|
作者：
Drira, I [1 ]
Spielfiedel, A
Edwards, S
Feautrier, N
机构：
[1] Observ Paris, Dept Atomes & Mol Astrophys, Sect Meudon, F-92195 Meudon, France
[2] Observ Paris, URA812, Sect Meudon, CNRS, F-92195 Meudon, France
来源：
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER | 1998年 / 60卷 / 01期
关键词：
D O I：
10.1016/S0022-4073(97)00165-9
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
Franck-Condon factors and radiative lifetimes of the A(1) pi-X-1 Sigma(+) and E-1 Sigma(+)- X-1 Sigma(+) transitions of the SiO-molecule have been calculated from accurate ab initio MRCI calculations including electronic transition moment variations. A comparison of the present results with the RKR potentials shows a good agreement and the deduced spectroscopic constants agree reasonably well with the experimental values. The variations of the electronic transition moment of the two bands are compared with the few experimental data and critically discussed. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.
引用
收藏
页码：1 / 8
页数：8
相关论文
共 50 条
  • [1] Theoretical investigation of the A1Π-X1Σ+, B1Σ+-X1Σ+, C1Σ+-X1Σ+, and E1Π-X1Σ+ transitions of the CO molecule
    Khalil, Malathe
    Mahmoud, Salman
    Brady, Ryan P.
    Almehairbi, Mubarak
    Gacesa, Marko
    Yurchenko, Sergei N.
    Tennyson, Jonathan
    Al Ghaferi, Amal
    El-Kork, Nayla
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2025, 27 (05) : 2783 - 2801
  • [2] Intensity distribution in the A1Σ +-X1Σ + and A′1Π -X1Σ+ systems of barium monoxide
    Sriramachandran, P.
    Shanmugavel, R.
    ASTROPHYSICS AND SPACE SCIENCE, 2014, 354 (02) : 251 - 257
  • [3] Intensity distribution in the A1Σ+−X1Σ+ and A′ 1Π−X1Σ+ systems of barium monoxide
    P. Sriramachandran
    R. Shanmugavel
    Astrophysics and Space Science, 2014, 354 : 251 - 257
  • [4] The theoretical character of the X1Σ+ and A1Σ+ states of ScN
    Bai Feng-Juan
    Yang Chuan-Lu
    Qian Qi
    Zhang Ling
    CHINESE PHYSICS B, 2009, 18 (02) : 549 - 552
  • [5] Astrophysically useful radiative transition parameters for the e1Π–X1Σ+ and 1Σ+–X1Σ+ systems of zirconium oxide
    R. Shanmugavel
    P. Sriramachandran
    Astrophysics and Space Science, 2011, 332 : 257 - 262
  • [6] Erratum to: Intensity distribution in the A1Σ+−X1Σ+ and A′ 1Π−X1Σ+ systems of barium monoxide
    P. Sriramachandran
    R. Shanmugavel
    Astrophysics and Space Science, 2014, 354 (2) : 685 - 685
  • [7] Fourier transform emission spectroscopy of the A′ 1Π-X1Σ+ and A1Π-X1Σ+ systems of IrN
    Ram, RS
    Bernath, PF
    JOURNAL OF MOLECULAR SPECTROSCOPY, 1999, 193 (02) : 363 - 375
  • [8] The A1Π-X1Σ+ transition in NiC
    Borin, AC
    CHEMICAL PHYSICS, 2001, 274 (2-3) : 99 - 108
  • [9] Ab initio relativistic treatment of the a3Π - X1Σ+, a′3Σ+ - X1Σ+ and A1Π - X1Σ+ systems of the CO molecule
    Mosyagin, N. S.
    Oleynichenko, A., V
    Zaitsevskii, A.
    Kudrin, A., V
    Pazyuk, E. A.
    Stolyarov, A., V
    JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2021, 263 (263):
  • [10] The theoretical study on the potential energy curves for X1Σ+, A1Π and C1Σ- states of SiO molecule
    Xu Guo-Liang
    Lue Wen-Jing
    Liu Yu-Fang
    Zhu Zun-Lue
    Zhang Xian-Zhou
    Sun Jin-Feng
    CHINESE PHYSICS B, 2008, 17 (12) : 4481 - 4484
12345