Crossed-beam and reduced dimensionality studies of the state-to-state integral cross sections of the Cl + HCD_3(v) → HCl(v′) + CD_3 reaction

摘要

The state-to-state integral cross sections of the Cl + HCD_3(v) → HCl(v′) + CD_3 reaction have been studied experimentally and theoretically. Reactions involving both Cl(~2P_(3/2)) and Cl(~2P_(1/2)) were analysed. In the experiment, a time-sliced velocity imaging detection method under crossed-beam condition was used. For theoretical study, a multiple potential energy surface model is employed. A combined reduced dimensionality quantum dynamics and quantum chemistry method is used with explicit treatment of spin-orbit coupling. Good agreement between experiment and theory is obtained, especially for the energy threshold dependence of the cross sections.