EXPERIMENTAL STUDIES AND THEORETICAL PREDICTIONS FOR THE H+D-2-]HD+D REACTION

被引:154
作者
SCHNIEDER, L
SEEKAMPRAHN, K
BORKOWSKI, J
WREDE, E
WELGE, KH
AOIZ, FJ
BANARES, L
DMELLO, MJ
HERRERO, VJ
RABANOS, VS
WYATT, RE
机构
[1] UNIV COMPLUTENSE MADRID, FAC QUIM, DEPT QUIM FIS, E-28040 MADRID, SPAIN
[2] UNIV ILLINOIS, BECKMAN INST, NATL CTR SUPERCOMP APPLICAT 4155, URBANA, IL 61801 USA
[3] CSIC, INST ESTRUCTURA MAT, E-28006 MADRID, SPAIN
[4] UNIV POLITECN MADRID, ETS INGN MONTES, DEPT QUIM GEN & BIOQUIM, E-28040 MADRID, SPAIN
[5] UNIV TEXAS, DEPT CHEM & BIOCHEM, AUSTIN, TX 78712 USA
关键词
D O I
10.1126/science.269.5221.207
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
The H + H-2 exchange reaction constitutes an excellent benchmark with which to test dynamical theories against experiments. The H + D-2 (vibrational quantum number v = 0, rotational quantum number j = 0) reaction has been studied in crossed molecular beams at a collision energy of 1.28 electron volts, with the use of the technique of Rydberg atom time-of-flight spectroscopy. The experimental resolution achieved permits the determination of fully rovibrational state-resolved differential cross sections. The high-resolution data allow a detailed assessment of the applicability and quality of quasi-classical trajectory (QCT) and quantum mechanical (QM) calculations. The experimental results are in excellent agreement with the QM results and in slightly worse agreement with the QCT results. This theoretical reproduction of the experimental data was achieved without explicit consideration of geometric phase effects.
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页码:207 / 210
页数:4
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