Line Lists for AlF and AlCl in the X1 Σ+ Ground State

被引:37
作者
Yousefi, Mahdi [1 ]
Bernath, Peter F. [1 ,2 ]
机构
[1] Old Dominion Univ, Dept Phys, Norfolk, VA 23529 USA
[2] Old Dominion Univ, Dept Chem & Biochem, Norfolk, VA 23529 USA
关键词
astronomical databases: miscellaneous; methods: laboratory: molecular; molecular data; opacity; techniques: spectroscopic; RO-VIBRATIONAL SPECTRA; COMPUTER-PROGRAM; SPECTROSCOPY; TRANSITION; CHEMISTRY;
D O I
10.3847/1538-4365/aacc6a
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
Vibration-rotation line lists for AlF, (AlCl)-Cl-35, and (AlCl)-Cl-37 have been prepared in their ground electronic states (X-1 Sigma(+)). Experimental rotational and ro-vibrational lines were employed to calculate a potential energy surface ( PES) by direct potential fitting. The PES was used to calculate ro-vibrational energy levels. Born-Oppenheimer Breakdown corrections were included in the energy level calculations for AlCl. Ro-vibrational energy levels were calculated for the v. =. 0 to v. =. 11 vibrational levels and up to J(max) =. 200 for the rotational levels. Dipole moment functions covering the range of the PES turning points were calculated for AlCl and AlF by ab initio methods and used to determine line intensities. Partition functions for temperatures up to 3000 K were calculated. AlF and AlCl have been detected in circumstellar envelopes and are predicted to occur in cool stellar and sub-stellar atmospheres.
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页数:7
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共 40 条
[1]   Molecular abundances in the inner layers of IRC+10216 [J].
Agundez, M. ;
Fonfria, J. P. ;
Cernicharo, J. ;
Kahane, C. ;
Daniel, F. ;
Guelin, M. .
ASTRONOMY & ASTROPHYSICS, 2012, 543
[2]   The Chemical Composition of the Sun [J].
Asplund, Martin ;
Grevesse, Nicolas ;
Sauval, A. Jacques ;
Scott, Pat .
ANNUAL REVIEW OF ASTRONOMY AND ASTROPHYSICS, VOL 47, 2009, 47 :481-522
[3]   ExoMol molecular line lists V: the ro-vibrational spectra of NaCl and KCl [J].
Barton, Emma J. ;
Chiu, Christopher ;
Golpayegani, Shirin ;
Yurchenko, Sergei N. ;
Tennyson, Jonathan ;
Frohman, Daniel J. ;
Bernath, Peter F. .
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, 2014, 442 (02) :1821-1829
[4]   THE CALCULATION OF THE DIPOLE-MOMENTS OF NIH, TIO, AND FEO [J].
BAUSCHLICHER, CW ;
LANGHOFF, SR ;
KOMORNICKI, A .
THEORETICA CHIMICA ACTA, 1990, 77 (04) :263-279
[5]  
Bernath P. F., 2016, SPECTRA ATOMS MOL
[6]   Molecular opacities for exoplanets [J].
Bernath, Peter F. .
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 2014, 372 (2014)
[7]   Spectroscopy, Metastability, and Single and Double Ionization of AlCl [J].
Brites, V. ;
Hammoutene, D. ;
Hochlaf, M. .
JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 112 (51) :13419-13426
[8]  
CERNICHARO J, 1987, ASTRON ASTROPHYS, V183, pL10
[9]   Study of the aluminium content in AGB winds using ALMA Indications for the presence of gas-phase (Al2O3)n clusters [J].
Decin, L. ;
Richards, A. M. S. ;
Waters, L. B. F. M. ;
Danilovich, T. ;
Gobrecht, D. ;
Khouri, T. ;
Homan, W. ;
Bakker, J. M. ;
Van de Sande, M. ;
Nuth, J. A. ;
De Beck, E. .
ASTRONOMY & ASTROPHYSICS, 2017, 608
[10]   Molecular line lists: The ro-vibrational spectra of NaF and KF [J].
Frohman, Daniel J. ;
Bernath, Peter F. ;
Brooke, James S. A. .
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2016, 169 :104-110