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Article Dans Une Revue Monthly Notices of the Royal Astronomical Society Année : 2016

Rotational excitation of 36 ArH + by He at low temperature

Résumé

In this paper, we focus on the determination of the rotational excitation rate coefficients of the first observed molecule containing noble gas 36ArH+ isotope by He. Hence, we present the first potential energy surface (PES) of ArH+ −He van der Waals system. The interaction PES of the ArH+(X1Σ+)−He(1S) complex is calculated by the ab initio explicitly correlated coupled cluster with single, double, and perturbative triple excitation (CCSD(T)-F12) method in connection with the augmented correlation consistent triple zeta Gaussian basis (aug-cc-pVTZ). The interaction potential presents two global minima of 708.00 and 172.98 cm−1 below the ArH+(X1Σ+)–He(1S) dissociation limit. Using the PES obtained, we have computed integral inelastic cross-sections in the close-coupling approach among the first 11 rotational levels of ArH+ for energies up to 2500 cm−1. Downward rate coefficients were determined at low temperature (T ≤ 300 K). It is expected that the data worked out in this study may be beneficial for further astrophysical investigations as well as laboratory experiments.
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Dates et versions

hal-03078739 , version 1 (13-10-2021)

Identifiants

  • HAL Id : hal-03078739 , version 1

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Cheikh T Bop, Kamel Hammami, Aliou Niane, Ndeye Arame Boye Faye, N Jaïdane. Rotational excitation of 36 ArH + by He at low temperature. Monthly Notices of the Royal Astronomical Society, 2016, 465 (1), pp.1137-1143. ⟨hal-03078739⟩
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