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Line shape parameters of PH3 transitions: Theoretical studies of self-broadened widths and line mixing effectsLine 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.
Document ID
20205003345
Acquisition Source
Goddard Space Flight Center
Document Type
Reprint (Version printed in journal)
Authors
C. Boulet
(Institut des Sciences Moléculaires d'Orsay Orsay, France)
Qiancheng Ma
(Columbia University New York, New York, United States)
Date Acquired
June 9, 2020
Publication Date
June 3, 2020
Publication Information
Publication: Journal of Chemical Physics
Publisher: American Institute of Physics
Volume: 152
Issue Publication Date: January 1, 2020
ISSN: 0021-9606
e-ISSN: 1089-7690
Subject Category
Chemistry And Materials (General)
Funding Number(s)
CONTRACT_GRANT: DE-AC02-05CH11231
Distribution Limits
Public
Copyright
Portions of document may include copyright protected material.
Technical Review
External Peer Committee
Keywords
Remote sensing
Rotational energy transfer
Physics of gases
Rotational spectra
Rotational-vibrational spectroscopy
Intermolecular potentials
Transition radiation
Collisional broadening
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