J/ApJS/237/8 Line lists for X1Σ+ AlF and AlCl (Yousefi+, 2018)
Line lists for AlF and AlCl in the X1Σ+ ground state.
Yousefi M., Bernath P.F.
<Astrophys. J. Suppl. Ser., 237, 8 (2018)>
=2018ApJS..237....8Y 2018ApJS..237....8Y
ADC_Keywords: Atomic physics; Molecular data
Keywords: astronomical databases: miscellaneous; methods: laboratory: molecular;
molecular data; opacity; techniques: spectroscopic
Abstract:
Vibration-rotation line lists for AlF, Al35Cl, and Al37Cl have
been prepared in their ground electronic states (X1Σ+).
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 Jmax=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 3000K were calculated. AlF and AlCl
have been detected in circumstellar envelopes and are predicted to
occur in cool stellar and sub- stellar atmospheres.
Description:
1100 high-resolution ro-vibrational and rotational lines of aluminum
monofluoride (AlF) from Zhang+ (1995JMoSp.170...82Z 1995JMoSp.170...82Z) and 1544 lines of
aluminum monochloride for Al35Cl and Al37Cl in the microwave and
infrared regions from Hedderich+ (1993JChPh..99.8363H 1993JChPh..99.8363H) were used for
the potential energy surface (PES) fitting. The observed lines of AlF
are from v=0 to v=9, and J up to 101. The observed lines of Al35Cl
are from v=0 to v=8, with a maximum J of 167 and v=0 to v=5, Jmax=127
for Al37Cl.
File Summary:
--------------------------------------------------------------------------------
FileName Lrecl Records Explanations
--------------------------------------------------------------------------------
ReadMe 80 . This file
table2.dat 38 67 Dipole moment functions for the X1Σ+
states of AlF and AlCl in Debye
table7.dat 80 80980 Line lists for AlF and AlCl in the X1Σ+
ground state
--------------------------------------------------------------------------------
See also:
J/MNRAS/442/1821 : ExoMol line list for KCl (Barton+, 2014)
J/ApJ/825/150 : Laboratory spectroscopy of sodium chloride (Cabezas+, 2018)
J/ApJS/235/8 : Line lists for X1Σ+ LiF and LiCl (Bittner+, 2018)
Byte-by-byte Description of file: table2.dat
--------------------------------------------------------------------------------
Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
1- 10 F10.8 0.1nm r [1.2/2.7] Internuclear distance
12- 26 F15.11 D AlF [-4.2/0.3]? AlF Dipole moment
28- 38 F11.8 D AlCl [-4.9/0.5]? AlCl Dipole moment
--------------------------------------------------------------------------------
Byte-by-byte Description of file: table7.dat
--------------------------------------------------------------------------------
Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
1- 6 A6 --- Iso Isotopologue (Al35Cl, Al37Cl or AlF)
8- 13 A6 --- Branch Branch (Lower J quantum number)
15- 16 I2 --- v1 [0/11] Upper vibrational quantum number
18- 19 I2 --- v0 [0/10] Lower vibrational quantum number
21- 31 F11.5 cm-1 Ev0J0 [237.6/26595.6] Lower state energy
33- 43 F11.5 cm-1 v [-3881.2/-0.4] Transition wavenumber
45- 55 E11.4 s-1 A [3.3e-14/75.4] Einstein A coefficient
57- 67 E11.5 --- f [1e-20/0.0004] Oscillator strength
69- 80 E12.6 D TDMMEs [-3.2/0.2] Transition dipole moment matrix
elements
--------------------------------------------------------------------------------
History:
From electronic version of the journal
(End) Prepared by [AAS], Emmanuelle Perret [CDS] 03-Sep-2018