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Title: Rovibronic molecular line list for the $$N_2(C^3Π_u–B^3Π_g)$$ second positive system

Journal Article · · Journal of Quantitative Spectroscopy and Radiative Transfer

Here, a line list for the N second positive system, $$B^3Π_g—C^3Π_u$$, has been compiled using the PGOPHER spectral simulation software. The line list extends the number of vibrational states of the $$B^3Π_g$$ up to v=29 and a maximum rotational state of J=150 for simulation temperatures up to 7000 K. New electronic–vibrational transition moments were calculated using refined potential energy curves and a transition dipole moment with the DUO software. Comparisons to experimental data and the SPECAIR software have been used to validate the new line list. The results are available in ASCII ExoMol .state and .trans files and as a PGOPHER input file for use in spectral analysis.

Research Organization:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
NA0003525
OSTI ID:
2311352
Alternate ID(s):
OSTI ID: 2368889
Report Number(s):
SAND--2023-13344J; {"","Journal ID: ISSN 0022-4073"}
Journal Information:
Journal of Quantitative Spectroscopy and Radiative Transfer, Journal Name: Journal of Quantitative Spectroscopy and Radiative Transfer Journal Issue: 1 Vol. 312; ISSN 0022-4073
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

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