Parity conservation and polarization of differential cross sections in complex-forming chemical reactions

被引:31
作者
Bonnet, L.
Larregaray, P.
Rayez, J. -C.
Gonzalez-Lezana, T.
机构
[1] Univ Bordeaux 1, Lab Physicochim Mol, F-33405 Talence, France
[2] CSIC, Inst Matemat & Fis Fundamental, E-28006 Madrid, Spain
关键词
D O I
10.1039/b608811b
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
For complex- forming chemical reactions, such as atom-diatom insertion reactions, quantum scattering and quantum statistical calculations usually predict sharp forward/ backward peaks in the Differential Cross Sections (DCS). Conversely, the corresponding classical calculations are unable to reproduce these peaks. We show here that the basic reason for such an intriguing failure is that parity conservation is ignored in classical mechanics. A by- product of the analysis is a simple parity-restoring approximation that might significantly increase the ability of classical mechanics to describe DCSs over the whole angular range for the title processes.
引用
收藏
页码:3951 / 3954
页数:4
相关论文
共 13 条
[1]  
[Anonymous], 2005, MOL REACTION DYNAMIC, DOI DOI 10.1017/CBO9780511614125
[2]   EVALUATED KINETIC AND PHOTOCHEMICAL DATA FOR ATMOSPHERIC CHEMISTRY SUPPLEMENT-IV - IUPAC SUBCOMMITTEE ON GAS KINETIC DATA EVALUATION FOR ATMOSPHERIC CHEMISTRY [J].
ATKINSON, R ;
BAULCH, DL ;
COX, RA ;
HAMPSON, RF ;
KERR, JA ;
TROE, J .
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 1992, 21 (06) :1125-1568
[3]   Dynamics of the C(1D)+D2 reaction:: A comparison of crossed molecular-beam experiments with quasiclassical trajectory and accurate statistical calculations -: art. no. 234309 [J].
Balucani, N ;
Capozza, G ;
Segoloni, E ;
Russo, A ;
Bobbenkamp, R ;
Casavecchia, P ;
Gonzalez-Lezana, T ;
Rackham, EJ ;
Bañares, L ;
Aoiz, FJ .
JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (23)
[4]   Experimental and theoretical differential cross sections for the N(2D)+H2 reaction [J].
Balucani, N ;
Casavecchia, P ;
Bañares, L ;
Aoiz, FJ ;
Gonzalez-Lezana, T ;
Honvault, P ;
Launay, JM .
JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (02) :817-829
[5]   Dynamics of the insertion reaction C(1D)+H2:: A comparison of crossed molecular beam experiments with quasiclassical trajectory and quantum mechanical scattering calculations [J].
Balucani, N ;
Capozza, G ;
Cartechini, L ;
Bergeat, A ;
Bobbenkamp, R ;
Casavecchia, P ;
Aoiz, FJ ;
Bañares, L ;
Honvault, P ;
Bussery-Honvault, B ;
Launay, JM .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2004, 6 (21) :4957-4967
[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]   Validity of phase space theory for atom-diatom insertion reactions [J].
Larrégaray, P ;
Bonnet, L ;
Rayez, JC .
JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (04) :1552-1560
[8]   Resonances of CH2((a)over-tilde1A1) and their roles in unimolecular and bimolecular reactions -: art. no. 124308 [J].
Lin, SY ;
Guo, H ;
Farantos, SC .
JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (12)
[9]  
MILLER WB, 1967, DISCUSS FARADAY SOC, P108, DOI 10.1039/df9674400108
[10]   STUDY OF STATISTICAL MODEL FOR MOLECULAR COLLISIONS [J].
MILLER, WH .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (02) :543-&