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

来源：

MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY | 2018年 / 475卷 / 01期

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

页码：783 / 787

页数：5