Reagent Vibration Effect on the Stereodynamics for the C+CDC2+D Reaction*

  • 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(θrr) 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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