Quasi-classical Trajectory Study of C+CD→C2+D at Different Collision Energy
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Graphical Abstract
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Abstract
Quasi-classical trajectory calculations have been employed to investigate the influence of collision energy on the stereodynamics of the title reaction C+CD→C2+D on the poten-tial energy surface of the 12A' state developed by Boggio-Pasqua et al. Mol. Phys. 98, 1925 (2000). The product angular distributions which reflect the vector correlation have been calculated. In addition, two polarization-dependent different cross-sections are also presented in the center-of-mass frame respectively. The results indicate that the product C2 is sensitively affected by collision energy.
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