Analysis of the resonance in H+D2→HD (ν′=3)+D

被引:29
作者
Allison, TC
Friedman, RS
Kaufman, DJ
Truhlar, DG
机构
[1] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA
[2] Univ Minnesota, Inst Supercomp, Minneapolis, MN 55455 USA
[3] NIST, Expt Kinet & Thermodynam Grp, Gaithersburg, MD 20899 USA
[4] Indiana Univ Purdue Univ, Dept Chem, Ft Wayne, IN 46805 USA
关键词
D O I
10.1016/S0009-2614(00)00885-X
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
The resonance recently observed by Fernandez-Alonso et al. at a total energy of 1.83 eV for H + D-2 (upsilon = j = 0) --> HD(upsilon' = 3,j' = 0)+ D is analyzed in terms of a locally vibrationally adiabatic model. The resonance is assigned as a upsilon(1) = 3, upsilon(2) = 0 vibrational state of a D-DH complex with total angular momentum quantum numbers of about 20, and it is associated with a vibrationally adiabatic barrier at a D-D distance of 2.9 to 3.1 a(0). The assignment explains the preferential decay into the upsilon' = 3, j' = 0 state of HD. (C) 2000 Published by Elsevier Science B.V.
引用
收藏
页码:439 / 445
页数:7
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