{\textbf{Rigid rotor state-to-state cross-sections and rates of the PH$_3$+H$_2$ collision}}

Abstract

{Accurate interpretation of observational astronomical data requires reliable collisional rate coefficients for inelasting scattering events between interstellar molecules and the abundant buffer species. An averaged new potential energy surface (PES) for the PH$_3$ symmetric-top molecule in van der Waals (vdW) interaction with H$_2\ ({}^1\Sigma_g^+)$ is generated using quantum chemical methods tooted in the explicitly correlated {CCSD(T)}-{F12} method, in conjunction with the correlation-consistent triple-zeta aug-cc-pVTZ basis sets. Inelastic rotational cross-sections for collisions between \textit{ortho} and \textit{para}-PH$_3$ with \textit{para}-H$_2$ are calculated using the close-coupling quantum scattering method. After Boltzmann thermal averaging, the rate coefficients are evaluated for temperatures up to 100 K. Our results reveal substantial discrepancies between computed PH$_3$-\textit{para}-H$_2$ collisional rates and scaled PH$_3$-He values, underlining the inadequacy of scaling approaches for reliable astrophysical modelling.}

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Article information

Article type
Paper
Submitted
12 Jun 2025
Accepted
31 Jul 2025
First published
04 Aug 2025

Phys. Chem. Chem. Phys., 2025, Accepted Manuscript

{\textbf{Rigid rotor state-to-state cross-sections and rates of the PH$_3$+H$_2$ collision}}

A. BADRI, F. Najar, N. Tasinato, S. Ndengué and H. Tajouo Tela, Phys. Chem. Chem. Phys., 2025, Accepted Manuscript , DOI: 10.1039/D5CP02236C

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