Mode-specific energy disposal in the four-atom reaction OH+D2→HOD+D

被引:117
作者
Strazisar, BR [1 ]
Lin, C [1 ]
Davis, HF [1 ]
机构
[1] Cornell Univ, Dept Chem & Biol Chem, Ithaca, NY 14850 USA
关键词
D O I
10.1126/science.290.5493.958
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
Experiments, employing crossed molecular beams, with vibrational state resolution have been performed on the simplest four-atom reaction, OH + D-2 --> HOD + D. In good agreement with the most recent quantum scattering predictions, mode-specific reaction dynamics is observed, with vibration in the newly formed oxygen-deuterium bond preferentially excited to v = 2. This demonstrates that quantum theoretical calculations, which in the past decade have achieved remarkable accuracy for three-atom reactions involving three dimensions, have progressed to the point where it is now possible to accurately predict energy disposal in four-atom reactions involving six dimensions.
引用
收藏
页码:958 / 961
页数:4
相关论文
共 25 条
[1]   The dynamics of the reaction OH+D-2->HOD+D: Crossed beam experiments and quantum mechanical scattering calculations on ab initio potential energy surfaces [J].
Alagia, M ;
Balucani, N ;
Casavecchia, P ;
Stranges, D ;
Volpi, GG ;
Clary, DC ;
Kliesch, A ;
Werner, HJ .
CHEMICAL PHYSICS, 1996, 207 (2-3) :389-409
[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]   Dynamics of the simplest chlorine atom reaction: An experimental and theoretical study [J].
Alagia, M ;
Balucani, N ;
Cartechini, L ;
Casavecchia, P ;
vanKleef, EH ;
Volpi, GG ;
Aoiz, FJ ;
Banares, L ;
Schwenke, DW ;
Allison, TC ;
Mielke, SL ;
Truhlar, DG .
SCIENCE, 1996, 273 (5281) :1519-1522
[4]   COMPARISON OF REAGENT STRETCH VS BEND EXCITATION IN THE H+D2O REACTION - AN EXAMPLE OF MODE-SELECTIVE CHEMISTRY [J].
BRONIKOWSKI, MJ ;
SIMPSON, WR ;
ZARE, RN .
JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (10) :2204-2208
[5]   EFFECT OF REAGENT VIBRATION ON THE H+HOD REACTION - AN EXAMPLE OF BOND-SPECIFIC CHEMISTRY [J].
BRONIKOWSKI, MJ ;
SIMPSON, WR ;
ZARE, RN .
JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (10) :2194-2203
[6]   Chemical reaction dynamics with molecular beams [J].
Casavecchia, P .
REPORTS ON PROGRESS IN PHYSICS, 2000, 63 (03) :355-414
[7]   Quantum theory of chemical reaction dynamics [J].
Clary, DC .
SCIENCE, 1998, 279 (5358) :1879-1882
[8]  
de Aspuru GO, 1998, J PHYS CHEM A, V102, P9631, DOI 10.1021/jp982433i
[9]  
DUNNING T, 1990, ADV MOL ELECT STRUCT, V1
[10]  
KUDLA K, 1995, CHEM DYNAMICS KINETI