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Article Dans Une Revue Chemical Physics Letters Année : 2012

Temperature dependence of rotational excitation rate coefficients of C2H− in collision with He

Résumé

From a new two-dimensional Potential Energy Surface (PES), rotational excitation of the C2H−(X1Σ+) anion by collision with He is investigated. PES is obtained in the supermolecular approach based on a single and double-excitation coupled cluster method with perturbative contributions from triple excitations (CCSD(T)). Fully-quantum close-coupling calculations of inelastic integral cross sections are done on a grid of collision energies large enough to insure converged state-to-state rate coefficients for the 13 first rotational levels of C2H− and temperatures ranging from 5 to 100 K. For this collisional system, rate coefficients exhibit a strong propensity in favor of even ΔN transitions.

Dates et versions

hal-02733990 , version 1 (02-06-2020)

Identifiants

Citer

F. Dumouchel, A. Spielfiedel, M.L. Senent, N. Feautrier. Temperature dependence of rotational excitation rate coefficients of C2H− in collision with He. Chemical Physics Letters, 2012, 533, pp.6-9. ⟨10.1016/j.cplett.2012.03.006⟩. ⟨hal-02733990⟩
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