Quasi-classical trajectory study of the isotope effect on the stereodynamics in the reaction H(2S) + CH(X2Π; υ = 0, j = 1) → C(1D) + H2(X1Σg+)
作者： Yun-Hui Wang , Chuan-Yun Xiao , Kai-Ming Deng , Rui-Feng Lu
DOI: 10.1088/1674-1056/23/4/043401
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摘要: The isotope effect on the stereodynamic properties in title reaction is investigated by a quasi-classical trajectory (QCT) method 11A' potential energy surface at collision of 23.06 kcal/mol. angular distributions P(θr), P(r), P(θr,r), and polarization-dependent generalized differential cross sections are calculated, which demonstrate observable influences rotational polarization product isotopic substitution H with D.
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