A quantum-mechanical study of the dynamics of the O(1D)+H2→OH+H insertion reaction

被引：100

作者：

Honvault, P ^{[1
]}

Launay, JM ^{[1
]}

机构：

[1] Univ Rennes 1, PALMS, CNRS, UMR 6627, Campus Beaulieu, F-35042 Rennes, France

来源：

JOURNAL OF CHEMICAL PHYSICS | 2001年 / 114卷 / 03期

关键词：

D O I：

10.1063/1.1338973

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 have studied the quantum dynamics of the O(D-1)+H-2(X (1)Sigma (+)(g))--> OH(X (2)Pi)+H(S-2) reaction at low collision energies. The hyperspherical method has been used in a time-independent formalism. We present rotational and vibrational distributions. OH vibrational distributions are found to be noninverted. Differential cross sections are almost symmetric in the forward and backward directions, with a slight preference for forward scattering. These features are consistent with the formation of an intermediate complex. (C) 2001 American Institute of Physics.

引用

页码：1057 / 1059

页数：3

共 32 条

[1] Crossed molecular beams and quasiclassical trajectory studies of the reaction O(1D)+H2(D2) [J].

Alagia, M ;

Balucani, N ;

Cartechini, L ;

Casavecchia, P ;

van Kleef, EH ;

Volpi, GG ;

Kuntz, PJ ;

Sloan, JJ .

JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (16) :6698-6708

[2] Product rotational angular momentum polarization in the reaction O(1D2)+H2→OH+H [J].

Alexander, AJ ;

Aoiz, FJ ;

Bañares, L ;

Brouard, M ;

Simons, JP .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2000, 2 (04) :571-580

[3] Classical reaction probabilities, cross sections and rate constants for the O(D-1)+H-2->OH+H reaction [J].

Alexander, AJ ;

Aoiz, FJ ;

Banares, L ;

Brouard, M ;

Herrero, VJ ;

Simons, JP .

CHEMICAL PHYSICS LETTERS, 1997, 278 (4-6) :313-324

[4] An experimental and quasiclassical study of the product state resolved stereodynamics of the reaction O(D-1(2))+H-2(v=0)->OH(X(2)Pi(3/2); v=0, N, f)+H [J].

Alexander, AJ ;

Aoiz, FJ ;

Brouard, M ;

Burak, I ;

Fujimura, Y ;

Short, J ;

Simons, JP .

CHEMICAL PHYSICS LETTERS, 1996, 262 (05) :589-597

[5] Stereodynamics of the reaction O(D-1(2))+H-2(upsilon=0)->OH(X-2 Pi(i);upsilon'=0,N',f)+H: State-resolved linear and rotational angular momentum distributions [J].

Alexander, AJ ;

Aoiz, FJ ;

Banares, L ;

Brouard, M ;

Short, J ;

Simons, JP .

JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (41) :7544-7557

[6]

[Anonymous], COMBUSTION

[7]

AOIZ FJ, UNPUB PHYS REV LETT

[8] Quantum reactive scattering of O(1D)+H2 and O(1D)+HD [J].

Balint-Kurti, GG ;

Gonzalez, AI ;

Goldfield, EM ;

Gray, SK .

FARADAY DISCUSSIONS, 1998, 110 :169-183

[9] Quantum mechanical and quasiclassical simulations of molecular beam experiments for the F+H2→HF+H reaction on two ab initio potential energy surfaces [J].

Castillo, JF ;

Hartke, B ;

Werner, HJ ;

Aoiz, FJ ;

Bañares, L ;

Martínez-Haya, B .

JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (17) :7224-7237

[10] Quantum state-resolved dynamics study for the reaction O(D-1)+H-2->OH+H(J=0) [J].

Dai, JQ .

JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (13) :4934-4942

← 1 2 3 4 →