Rates of complex formation in collisions of rotationally excited homonuclear diatoms with ions at very low temperatures: Application to hydrogen isotopes and hydrogen-containing ions

被引:27
|
作者
Dashevskaya, EI [1 ]
Litvin, I
Nikitin, EE
Troe, J
机构
[1] Technion Israel Inst Technol, Dept Chem, IL-32000 Haifa, Israel
[2] Max Planck Inst Biophys Chem, D-37077 Gottingen, Germany
[3] Univ Gottingen, Inst Phys Chem, D-37077 Gottingen, Germany
来源
JOURNAL OF CHEMICAL PHYSICS | 2005年 / 122卷 / 18期
关键词
D O I
10.1063/1.1889425
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
State-selected rate coefficients for the capture of ground and rotationally excited homonuclear molecules by ions are calculated, for low temperatures, within the adiabatic channel classical (ACCl) approximation, and, for zero temperature, via an approximate calculation of the Bethe limit. In the intermediate temperature range, the accurate quantal rate coefficients are calculated for j=0 and j=1 states of hydrogen isotopes (H-2, HD, and D-2) colliding with hydrogen-containing ions, and simple analytical expressions are suggested to approximate the rate coefficients. For the ground rotational state of diatoms, the accurate quantal rate coefficients are higher compared to their ACCl counterparts, while for the first excited rotational state the reverse is true. The physical significance of quantum effects for low-temperature capture and the applicability of the statistical description of capture are considered. Particular emphasis is given to the role of Coriolis interaction. The relevance of the present capture calculations for rates of ortho-para conversion of H-2 in collisions with hydrogen-containing ions at low temperatures is discussed. (c) 2005 American Institute of Physics.
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