Rotational quenching of monodeuterated water by hydrogen molecules

被引：25
作者：
Wiesenfeld, Laurent [1 ]
Scribano, Yohann [2 ]
Faure, Alexandre [1 ]
机构：
[1] UJF Grenoble 1, CNRS INSU, IPAG, UMR 5274, F-38041 Grenoble, France
[2] Univ Bourgogne, Lab Interdisciplinaire Carnot Bourgogne, CNRS, UMR 5209, F-21078 Dijon, France
来源：
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2011年 / 13卷 / 18期
关键词：
POTENTIAL-ENERGY SURFACE; HERSCHEL OBSERVATIONS; DEUTERATED WATER; LOW-TEMPERATURE; HEAVY-WATER; EXCITATION; INTERSTELLAR; SCATTERING; EMISSION; H2O;
D O I：
10.1039/c0cp02591g
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：
Cross sections and rate coefficients for low lying rotational transitions in HDO induced by para and ortho-H-2 collisions are presented for the first time. Calculations have been performed at the close-coupling and coupled-states levels with the deuterated variant of the H2O-H-2 interaction potential of Valiron et al. [J. Chem. Phys., 2008, 129, 134306]. Rate coefficients are presented for temperatures between 5 and 100 K and are compared to the corresponding rates for H2O and D2O. Significant differences caused by the isotopic substitution, in particular the C-2v symmetry breaking, are observed. Finally, our rates are found to be significantly larger (by up to three orders of magnitude at 50 K) than the corresponding HDO-He rates and should lead to a thorough re-estimation of the abundance of interstellar HDO.
引用
收藏
页码：8230 / 8235
页数：6
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