Quantum and Quasiclassical Dynamics of the ${\rm\bf C}(\bf ^3P)$ + ${\rm\bf H_2}(\bf ^1\Sigma_g^+)$ $\rightarrow$ ${\rm\bf H}(\bf ^2S)$ + ${\rm\bf CH}(\bf ^2\Pi)$ reaction: Coriolis Coupling Effects and Stereodynamics

Abstract

Abstract The dynamics of ${\rm\bf C}$ + ${\rm\bf H_2}$ $\rightarrow$ ${\rm\bf H}$ + ${\rm\bf CH}$ reaction is theoretically studied using the quasiclassical trajectory and quantum mechanical wave packet methods. The analysis of reaction probabilities, integral cross sections and rate coefficients reveal the essential coriolis coupling effects in the quantum mechanical wave packet calculations. The calculated polarization-dependent differential cross section, P($\theta_r$) and P($\phi_r$) show that the $\bf j'$ of product rotational angular momentum is not only aligned along the y-axis and the direction of the vector $\bf x+z$, but also strongly oriented along the positive y-axis.