Dynamics of the C(1D)+D2 reaction:: A comparison of crossed molecular-beam experiments with quasiclassical trajectory and accurate statistical calculations -: art. no. 234309
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Balucani, N
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Capozza, G
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机构:Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy
Capozza, G
Segoloni, E
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机构:Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy
Segoloni, E
Russo, A
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机构:Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy
Russo, A
Bobbenkamp, R
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机构:Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy
Bobbenkamp, R
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Casavecchia, P
Gonzalez-Lezana, T
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机构:Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy
Gonzalez-Lezana, T
Rackham, EJ
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机构:Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy
Rackham, EJ
Bañares, L
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机构:Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy
Bañares, L
Aoiz, FJ
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机构:Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy
Aoiz, FJ
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[1] Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy
[2] Phys & Theoret Chem Lab, Oxford OX1 3QZ, England
In this paper we report a combined experimental and theoretical study on the dynamics of the insertion reaction C(D-1)+D-2 at 15.5 kJ mol(-1) collision energy. Product angular and velocity distributions have been obtained in crossed beam experiments and quasiclassical trajectory (QCT) and rigorous statistical calculations have been performed on the recent and accurate ab initio potential energy surface of Bussery-Honvault, Honvault, and Launay at the energy of the experiment. The molecular-beam results have been simulated using the theoretical calculations. Good agreement between experiment and both QCT and statistical predictions is found. (C) 2005 American Institute of Physics.