Analysis of the calculated and observed X-X ro-vibrational transition intensities in molecular hydrogen

被引:1
|
作者
Ushakov, V. G. [1 ]
Balashev, S. A. [2 ]
Medvedev, E. S. [1 ]
机构
[1] Russian Acad Sci, Fed Res Ctr Problems Chem Phys & Med Chem, Inst Problems Chem Phys, 1 Prospekt Akad Semenova, Chernogolovka 142432, Russia
[2] Russian Acad Sci, Ioffe Inst, Politekhnicheskaya Ul 26, St Petersburg 194021, Russia
关键词
Analytic quadrupole-moment function; NIDL; Anomalies; Observational data on Einstein A coefficients ratios; Proton-to-electron mass ratio; ELECTRIC QUADRUPOLE TRANSITIONS; LINE-STRENGTH; BAND SYSTEM; H-2; ABSORPTION; LYMAN; PROBABILITIES; SENSITIVITY; FREQUENCY; TABLE;
D O I
10.1016/j.jms.2023.111863
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
The potential-energy and quadrupole-moment functions of the H2 ground electronic state are well known in literature (Komasa et al., 2019; Wolniewicz et al., 1998), and the line list of the vibrational-rotational transitions was calculated (Roueff et al., 2019). In this paper, we analyze the calculated intensities in order to learn how the intensities will change when analytic quadrupole-moment functions fitted to the ab initio and experimental data are used instead of spline-interpolated functions. We found that the use of splines does not deteriorate the intensities and does not lead to nonphysical saturation, as in heavier molecules, owing to the high precision of the ab initio data and the high density of the grid. The accuracy of the calculated intensities is estimated up to high overtones. Extraction of new spectroscopic information from the observational data that supplements the laboratory measurements is performed. The laboratory and observational data do not help increase the quality of the analytic functions. Numerous anomalies resulting from the destructive interference are identified in the calculated line lists, some of them being situated within the recently observed spectral regions, 1.5-2.5 mu m. The intensities of these anomalies can be sensitive to the form of the molecular functions as well as to the proton-to-electron mass ratio. In this connection, the similar Le Roy anomalies (Brown and LeRoy, 1973; Le Roy and Vrscay, 1975) also arising due to the destructive interference in the Lyman and Werner systems are discussed
引用
收藏
页数:18
相关论文
共 50 条
  • [1] DETECTION AND MEASUREMENT OF RO-VIBRATIONAL POPULATIONS IN MOLECULAR-HYDROGEN
    POPOVIC, D
    CADEZ, I
    LANDAU, M
    PICHOU, F
    SCHERMANN, C
    HALL, RI
    [J]. MEASUREMENT SCIENCE AND TECHNOLOGY, 1990, 1 (10) : 1041 - 1046
  • [2] More accurate ro-vibrational energies for SiF +(X 1σ+) molecule
    Yanar, Hilmi
    [J]. PHYSICA SCRIPTA, 2022, 97 (04)
  • [3] Calculated vibrational intensities in the (A)over-tilde-(X)over-tilde electronic transition of acetylene
    Watson, JKG
    [J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 2001, 207 (02) : 276 - 284
  • [4] Theoretical studies on dipole moment surface and Ro-vibrational transition intensities of He-N2O
    Zhou, YZ
    Zhu, H
    Xie, DQ
    Yan, GS
    [J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2004, 25 (06): : 1081 - 1084
  • [5] Oscillator strengths between low-lying ro-vibrational states of hydrogen molecular ions
    Tian, Quan-Long
    Tang, Li-Yan
    Zhong, Zhen-Xiang
    Yan, Zong-Chao
    Shi, Ting-Yun
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2012, 137 (02):
  • [6] Structural analysis of the ro-vibrational states of screened hydrogen molecular ion H2+ in the regime of Borromean binding
    Mondal, S.
    Sadhukhan, A.
    Mukhopadhyay, T. K.
    Pawlak, M.
    Saha, J. K.
    [J]. PHYSICA SCRIPTA, 2023, 98 (01)
  • [7] New ab initio potential energy surfaces for the ro-vibrational excitation of OH(X2 Π) by He
    Kalugina, Yulia
    Lique, Francois
    Marinakis, Sarantos
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014, 16 (26) : 13500 - 13507
  • [8] Information System for Molecular Spectroscopy. 5. Ro-vibrational Transitions and Energy Levels of the Hydrogen Sulfide Molecule
    Polovtseva, E. R.
    Lavrentiev, N. A.
    Voronina, S. S.
    Naumenko, V.
    Fazliev, A. Z.
    [J]. ATMOSPHERIC AND OCEANIC OPTICS, 2012, 25 (02) : 157 - 165
  • [9] Information system for molecular spectroscopy. 5. Ro-vibrational transitions and energy levels of the hydrogen sulfide molecule
    E. R. Polovtseva
    N. A. Lavrentiev
    S. S. Voronina
    O. V. Naumenko
    A. Z. Fazliev
    [J]. Atmospheric and Oceanic Optics, 2012, 25 (2) : 157 - 165
  • [10] Theoretical study of the ro-vibrational spectrum of CaO molecule in its two X1Σ+ and A1Σ+ states
    Cheng, Junxia
    Chen, Huajun
    Zhu, Xijuan
    Cheng, Xinlu
    [J]. JOURNAL OF MOLECULAR STRUCTURE, 2015, 1084 : 122 - 127