Publication Abstracts
Boulet and Ma 2020
Boulet, C., and , 2020: Line shape parameters of PH3 transitions: Theoretical studies of self-broadened widths and line mixing effects. J. Chem. Phys., 152, no. 21, 214305, doi:10.1063/5.0008535.
Line mixing effects have been calculated in various parallel and perpendicular bands of self-broadened PH3 lines and compared with recent experimental data. The theoretical approach is an extension to symmetric tops with high inversion barrier of the formalism previously developed for NH3 [Q. Ma and C. Boulet, J. Chem. Phys. 144, 224303 (2016)]. The model takes into account the non-diagonality of the scattering operator within the line space as well as, in a correct way, the double degeneracy of the j, k levels when k≠0. Transitions between such levels should be considered as doublets whose components may be coupled by the line mixing process. It has been shown that, at low pressure, the inversion of the experimental data will strongly depend on the splitting between the two components of a doublet. When it is significant, one can measure independently both the width of one component and the intra-doublet coupling matrix element. Otherwise, one can only measure the sum of these two elements. Comparisons with measurements show that the present formalism leads to accurate predictions of the experimental line shapes.
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BibTeX Citation
@article{bo08300m,
author={Boulet, C. and Ma, Q.},
title={Line shape parameters of PH3 transitions: Theoretical studies of self-broadened widths and line mixing effects},
year={2020},
journal={J. Chem. Phys.},
volume={152},
number={21},
pages={214305},
doi={10.1063/5.0008535},
}
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RIS Citation
TY - JOUR ID - bo08300m AU - Boulet, C. AU - Ma, Q. PY - 2020 TI - Line shape parameters of PH3 transitions: Theoretical studies of self-broadened widths and line mixing effects JA - J. Chem. Phys. VL - 152 IS - 21 SP - 214305 DO - 10.1063/5.0008535 ER -
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