We report the line list for the 2v(3)(A(1),E) and v(1)+v(3) (E) strong bands of the NF3 molecule which is considered as long living greenhouse gas in the atmosphere with a significant radiative force potential. To construct the line list, the variational calculations based on the ab initio surfaces of the potential energy and dipole moment were combined with high-resolution data on line positions. The effective polyad model was developed for NF3 by the sixth-order contact transformation of the full rovibrational Hamiltonian. The theoretical parameters of the effective Hamiltonian were then refined by fitting to experimental transitions presented in literature. The parameters of the effective dipole moment were obtained from fitting to our ab initio line intensities. The results of the simulations are consistent with our Fourier Transform spectra within their uncertainty of 10%. (C) 2019 Elsevier Ltd. All rights reserved.
1.SB RAS, VE Zuev Inst Atmospher Opt, Lab Theoret Spect, 1 Akademician Zuev Sq, Tomsk 634055, Russia 2.Tomsk State Univ, 36 Lenin Ave, Tomsk 634050, Russia 3.UFR Sci, UMR CNRS 7331, Grp Spectrometrie Mol & Atmospher, BP 1039, F-51687 Reims 2, France
Recommended Citation:
Rodina, Alena,Egorov, Oleg,Nikitin, Andrei,et al. Line list for NF3 molecule in the 1750-1950 cm(-1) region[J]. JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER,2019-01-01,232:10-19