ExoMol line list XXXIV: A Rovibrational Line List for Phosphinidene (PH) in its $X{}^3{\Sigma }^{-}$ and $a{}^1\Delta$ Electronic States

Abstract

A rovibronic line list for the ground ($X$ ${}^3{\Sigma }^{-}$) and first excited ($a$ ${}^1\Delta$) states of phosphinidene, ${}^{31}$PH, is computed. The line list is designed for studies of exoplanetary and cool stellar atmospheres with temperatures up to 4000 K. A combination of empirical and ab initio data are used to produce the line list: potential energy curves (PECs) are fitted using experimental transition frequencies; these transitions are reproduced with a root mean square error of 0.01 cm${}^{-1}$. The nuclear Schrödinger is solved using these PECs plus Born-Oppenheimer and spin splitting correction terms. Line intensities and Einstein $A$ coefficients are computed using ab initio Dipole Moment Curves (DMC) $X$-$X$ and $a$-$a$. The resulting LaTY line list, which contains 65055 transitions for 2528 rovibronic states up to 24500 cm${}^{-1}$ and $J=80$ is used to simulate spectra in emission and absorption at a range of temperatures. The line list is made available in electronic form at the CDS and ExoMol databases.

References in corpus (6)

• ExoMol line lists VII: The rotation-vibration spectrum of phosphine up to 1500 K
• ExoMol molecular line lists - XXIII: spectra of PO and PS
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Cited by in corpus (7)

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• The ExoMolOP Database: Cross-sections and k-tables for Molecules of Interest in High-Temperature Exoplanet Atmospheres
• Aluminium oxide in the atmosphere of hot Jupiter WASP-43b
• Low-Temperature Gas Opacities with AESOPUS 2.0
• The NewEra model grid
• Computational Infrared Spectroscopy of 958 Phosphorus-bearing Molecules
• Characterising the Atmosphere of 55 Cancri e: 1D Forward Model Grid for Current and Future JWST Observations