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Line shape parameters of PH3 transitions: Theoretical studies of self-broadened widths and line mixing effects.
Metadata
Journaljournal of chemical physics2.991Date
2020-Jun-07
Type
Journal Article
Volume
2020-Jun-07 / 152 : 214305
Author
Boulet C 1, Ma Q 2
Affiliation
  • 2. NASA/Goddard Institute for Space Studies and Department of Applied Physics and Applied Mathematics, Columbia University, 2880 Broadway, New York, New York 10025, USA.
Doi
PMIDMESH
Abstract
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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J Chem Physjournal of chemical physics
Metadata
LocationUnited States
FromAMER INST PHYSICS

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