Experimental and quantum dynamical study on an asymmetric insertion reaction:: State-to-state dynamics of O(1D)+HD(1Σg+,υ'=0,j'=0)→OH(2Π,υ'',N'')+D(2S)

被引：61

作者：

Yuan, KJ ^{[1
]}

Cheng, Y

Liu, XH

Harich, S

Yang, XM

Zhang, DH

机构：

[1] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Liaoning, Peoples R China

[2] Chinese Acad Sci, Dalian Inst Chem Phys, Ctr Theoret & Computat Chem, Dalian 116023, Liaoning, Peoples R China

来源：

PHYSICAL REVIEW LETTERS | 2006年 / 96卷 / 10期

关键词：

D O I：

10.1103/PhysRevLett.96.103202

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Quantum-state-resolved differential cross sections of the O(D-1)+HD -> OH+D reaction at the collision energy of 7.11 kJ/mol has been determined experimentally and theoretically. The results of the time-dependent wave-packet calculations are overall in good agreement with the crossed beam scattering data, providing a benchmark example of an asymmetric insertion reaction at the state-to-state scattering level. The good agreement between experiment and theory suggests that the underlying ground potential energy surface is generally correct and that the nonadiabatic effect involving the electronic excited pathway is apparently small in this system.

引用

页数：4

共 24 条

[1] Crossed-beam reaction of O(1D)+D2→OD+D by velocity map imaging [J].

Ahmed, M ;

Peterka, DS ;

Suits, AG .

CHEMICAL PHYSICS LETTERS, 1999, 301 (3-4) :372-378

[2] 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

[3]

ANDERSON JG, 1987, ANNU REV PHYS CHEM, V38, P489, DOI 10.1146/annurev.pc.38.100187.002421

[4] The O(1D)+H2 reaction at 56 meV collision energy:: A comparison between quantum mechanical, quasiclassical trajectory, and crossed beam results [J].

Aoiz, FJ ;

Bañares, L ;

Castillo, JF ;

Herrero, VJ ;

Martínez-Haya, B ;

Honvault, P ;

Launay, JM ;

Liu, X ;

Lin, JJ ;

Harich, SA ;

Wang, CC ;

Yang, X .

JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (24) :10692-10703

[5] Insertion and abstraction pathways in the reaction O(1D2)+H2→OH+H [J].

Aoiz, FJ ;

Bañares, L ;

Castillo, JF ;

Brouard, M ;

Denzer, W ;

Vallance, C ;

Honvault, P ;

Launay, JM ;

Dobbyn, AJ ;

Knowles, PJ .

PHYSICAL REVIEW LETTERS, 2001, 86 (09) :1729-1732

[6] Quantum effects in the differential cross sections for the insertion reaction N(2D)+H2 -: art. no. 013201 [J].

Balucani, N ;

Cartechini, L ;

Capozza, G ;

Segoloni, E ;

Casavecchia, P ;

Volpi, GG ;

Aoiz, FJ ;

Bañares, L ;

Honvault, P ;

Launay, JM .

PHYSICAL REVIEW LETTERS, 2002, 89 (01)

[7] Chemical reaction dynamics with molecular beams [J].

Casavecchia, P .

REPORTS ON PROGRESS IN PHYSICS, 2000, 63 (03) :355-414

[8] REACTIVE SCATTERING OF O(D-1)+HD - PRODUCT SPEED AND ANGLE DISTRIBUTIONS [J].

CHE, DC ;

LIU, KP .

JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (12) :5164-5167

[9]

Davidson ER, 1998, FARADAY DISCUSS, V110, P207

[10]

Dixon-Lewis G., 1977, COMPREHENSIVE CHEM K, V17, P1

← 1 2 3 →