Line Lists for LiF and LiCl in the X1Σ+ Ground State

Authors

Dror M. Bittner, Old Dominion University
Peter F. Bernath, Old Dominion UniversityFollow

Document Type

Article

Publication Date

3-2018

DOI

10.3847/1538-4365/aa9846

Publication Title

Astrophysical Journal Supplement Series

Volume

235

Issue

1

Pages

8 (5 pages)

Abstract

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.

Comments

Article is open access under a Creative Commons CC-BY license.

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

ORCID

0000-0002-4030-2797 (Bittner), 0000-0002-1255-396X (Bernath)

Repository Citation

Bittner, Dror M. and Bernath, Peter F., "Line Lists for LiF and LiCl in the X1Σ+ Ground State" (2018). Chemistry & Biochemistry Faculty Publications. 103.
https://digitalcommons.odu.edu/chemistry_fac_pubs/103