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

被引:102
作者
Balucani, N [1 ]
Cartechini, L
Capozza, G
Segoloni, E
Casavecchia, P
Volpi, GG
Aoiz, FJ
Bañares, L
Honvault, P
Launay, JM
机构
[1] Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy
[2] Univ Complutense, Dept Quim Fis, E-28040 Madrid, Spain
[3] Univ Rennes 1, PALMS, CNRS, UMR 6627, F-35042 Rennes, France
关键词
D O I
10.1103/PhysRevLett.89.013201
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The quantum (QM) scattering theory has been difficult to apply to the family of insertion reactions and the approximate quasiclassical trajectory (QCT) method or statistical calculations were mostly applied. In this Letter, we compare the experimental differential cross sections for the title insertion reaction with the results of QM and QCT calculations on an ab initio potential energy surface. The QM results reproduce well the crossed beam experiment, while a small, but significant, difference in the QCT ones points to quantum effects, possibly the occurrence of tunneling through the combined potential and centrifugal barrier.
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页数:4
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