Rotational excitation of the interstellar NH2 radical by H2

被引:15
作者
Bouhafs, Nezha [1 ]
Lique, Francois [1 ]
Faure, Alexandre [2 ]
Bacmann, Aurore [2 ]
Li, Jun [3 ,4 ]
Guo, Hua [3 ]
机构
[1] Univ Havre, CNRS, UMR 6294, LOMC, 25 Rue Philippe Lebon,BP 1123, F-76063 Le Havre, France
[2] UJF Grenoble 1, CNRS, IPAG, UMR 5274, F-38041 Grenoble, France
[3] Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA
[4] Chongqing Univ, Sch Chem & Chem Engn, Chongqing 401331, Peoples R China
基金
美国能源部; 中国国家自然科学基金;
关键词
POTENTIAL-ENERGY SURFACE; TO-PARA RATIO; NITROGEN HYDRIDES; RATE COEFFICIENTS; HERSCHEL/HIFI OBSERVATIONS; COLLISIONAL EXCITATION; MOLECULAR-HYDROGEN; INFRARED-SPECTRUM; LOW-TEMPERATURE; CROSS-SECTIONS;
D O I
10.1063/1.4975324
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We present quantum close-coupling calculations for the rotational excitation of the interstellar amidogen radical NH2 due to collisions with H-2 molecules. The calculations are based on a recent, high-accuracy full-dimensional NH4 potential energy surface adapted for rigid-rotor scattering calculations. The collisional cross section calculations are performed for all transitions among the first 15 energy levels of both ortho- and para-NH2 and for total energies up to 1500 cm(-1). Both para- and ortho-H-2 colliding partners are considered. The cross sections for collision with para- and ortho-H-2 are found to differ significantly, the magnitude of the ortho-H-2 ones being dominant. No strong propensity rules are observed but transitions with Delta k(c) = 0 are slightly favored. Published by AIP Publishing.
引用
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页数:8
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