摘要Vector correlations between products and reagents of the reaction C+CH and the isotopic variant reactions are calculated by employing the quasi-classical trajectory method based on the adiabatically 12A'' double−many-body-expansion potential-energy surface computed and numerically fitted by Boggio-Pasqua et al. The normalized polarization-dependent differential cross-sections and the distributions of P(θr), P(φr) and P(θr,φr) at the selected collision energy are discussed in detail. The values of the product rotational alignment parameter 〈P2 (j'⋅k)〉 are also calculated and plotted as functions of the collision energy in the range 0.005–0.5 eV. The computed results show that the rotational polarizations of the product present pronounced different characters as the mass substituted atom increasing.
Abstract：Vector correlations between products and reagents of the reaction C+CH and the isotopic variant reactions are calculated by employing the quasi-classical trajectory method based on the adiabatically 12A'' double−many-body-expansion potential-energy surface computed and numerically fitted by Boggio-Pasqua et al. The normalized polarization-dependent differential cross-sections and the distributions of P(θr), P(φr) and P(θr,φr) at the selected collision energy are discussed in detail. The values of the product rotational alignment parameter 〈P2 (j'⋅k)〉 are also calculated and plotted as functions of the collision energy in the range 0.005–0.5 eV. The computed results show that the rotational polarizations of the product present pronounced different characters as the mass substituted atom increasing.
(General theories and models of atomic and molecular collisions and interactions (including statistical theories, transition state, stochastic and trajectory models, etc.))
引用本文:
WU Ji-Cheng;WANG Mei-Shan**;YANG Chuan-Lu;LI Xiao-Hu;CHEN Xiao-Qiong
. Theoretical Study of the Stereodynamics of the Reaction C(3P)+CH(X2Π) and Its Isotopic Variants[J]. 中国物理快报, 2011, 28(6): 63401-063401.
WU Ji-Cheng, WANG Mei-Shan**, YANG Chuan-Lu, LI Xiao-Hu, CHEN Xiao-Qiong
. Theoretical Study of the Stereodynamics of the Reaction C(3P)+CH(X2Π) and Its Isotopic Variants. Chin. Phys. Lett., 2011, 28(6): 63401-063401.
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