| ATOMIC AND MOLECULAR PHYSICS |
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Reagent Vibration Effect on the Stereodynamics for the C+CD→C2+D Reaction* |
| XIE Ting-Xian, SHI Ying**
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1School of Science, Dalian Jiaotong University, Dalian 116028
2Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012
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| Cite this article: |
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XIE Ting-Xian, SHI Ying 2011 Chin. Phys. Lett. 28 113101 |
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Abstract We study the effect of the reagent vibration of the CD on the stereodynamics of the C+CD→C2 +D reaction by using the quasi−classical trajectory method at a collision energy of 2.306 kcal/mol on the potential energy surface of the 12A' state [Boggio−Pasqua et al. Mol. Phys. 98 (2000) 1925]. The vector correlation distributions p(θr) and the dihedral−angle distribution p(φr) as well as p(θr,φr) are calculated. In addition, two polarization-dependent generalized differential cross sections of the product are presented and discussed within a center-of-mass framework. The results show that the effect of reagent vibration can cause obviously different effects on the stereodynamics of the title reaction.
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| Keywords:
31.15Ap
31.15.At
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Received: 04 May 2011
Published: 30 October 2011
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| PACS: |
31.15Ap
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31.15.at
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(Molecule transport characteristics; molecular dynamics; electronic structure of polymers)
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