Rotational relaxation of AlO+(1Σ+) in collision with He

被引:7
作者
Denis-Alpizar, O. [1 ]
Trabelsi, T. [2 ]
Hochlaf, M. [2 ]
Stoecklin, T. [3 ]
机构
[1] Univ Autonoma Chile, Fac Ingn, Inst Ciencias Quim Aplicadas, El Llano Subercaseaux 2801, Santiago, Chile
[2] Univ Paris Est, Lab Modelisat & Simulat Multi Echelle, CNRS, MSME UMR 8208, 5 Bd Descartes, F-77454 Marne La Vallee, France
[3] Univ Bordeaux, Inst Sci Mol, CNRS, UMR 5255, F-33405 Talence, France
关键词
astrochemistry; molecular data; molecular processes; scattering; ISM: molecules; POTENTIAL-ENERGY SURFACES; VY CANIS MAJORIS; RATE COEFFICIENTS; CHEMISTRY; SCATTERING; EXCITATION; ALO;
D O I
10.1093/mnras/stx3182
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
The rate coefficients for the rotational de-excitation of AlO+ by collisions with He are determined. The possible production mechanisms of the AlO+ ion in both diffuse and dense molecular clouds are first discussed. A set of ab initio interaction energies is computed at the CCSD(T)-F12 level of theory, and a three-dimensional analytical model of the potential energy surface is obtained using a linear combination of reproducing kernel Hilbert space polynomials together with an analytical long range potential. The nuclear spin free close-coupling equations are solved and the de-excitation rotational rate coefficients for the lower 15 rotational states of AlO+ are reported. A propensity rule to favour Delta j = -1 transitions is obtained while the hyperfine resolved state-to-state rate coefficients are also discussed.
引用
收藏
页码:783 / 787
页数:5
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