Astrophysical Journal Supplement Series
8 (5 pages)
Vibration–rotation line lists for 6LiF, 7LiF, 6Li35Cl, 6Li37Cl, 7Li35Cl, and 7Li37Cl in the X1Σ+ ground states have been prepared. The rovibrational energy levels have been calculated using potential energy surfaces determined by direct potential-fitting employing the rotational and rovibrational transition frequencies of all isotopologues, and required the inclusion of Born–Oppenheimer breakdown terms. Dipole moment functions calculated ab initio at the MRCI/aug-cc-pwCV5Z level have been used for line strength calculations. Partition functions for temperatures up to 5000 K have been calculated. LiF and LiCl are predicted to be present in the atmospheres of hot rocky exoplanets, brown dwarfs, and cool stars.
Original Publication Citation
Bittner, D. M., & Bernath, P. F. (2018). Line lists for LiF and LiCl in the X1Σ+ ground state. Astrophysical Journal Supplement Series, 235(1), 8. doi:10.3847/1538-4365/aa9846
0000-0002-4030-2797 (Bittner), 0000-0002-1255-396X (Bernath)
Bittner, Dror M. and Bernath, Peter F., "Line Lists for LiF and LiCl in the X1Σ+ Ground State" (2018). Chemistry & Biochemistry Faculty Publications. 103.