title: Correlated Dynamics of the O((3)P) + CHD3(v=0) Reaction: A Joint Crossed-Beam and Quasiclassical Trajectory Study.
abstract: Crossed beam experiments and quasiclassical trajectory computations on an ab initio potential energy surface are performed for the O((3)P) + CHD3(v=0) → OH(v'=0) + CD3(v2=0,2) and OD(v'=0,1) + CHD2(v=0) reactions. Both experiment and theory show that the excitation functions display a concave-up behavior and the angular distributions are backward scattered, indicating a direct rebound mechanism and a tight-bend transition state. The reaction produces mainly ground-state products showing the dominance of a vibrationally adiabatic reaction pathway. The standard histogram binning cannot reproduce the observed vibrational adiabaticity, whereas Gaussian binning gives good agreement with experiment.
authors.affiliation: †Institute of Atomic and Molecular Sciences (IAMS), Academia Sinica, P.O. Box 23-166, Taipei, Taiwan 10617.
authors.forename: Bailin
authors.initials: B
authors.lastname: Zhang
authors.affiliation: †Institute of Atomic and Molecular Sciences (IAMS), Academia Sinica, P.O. Box 23-166, Taipei, Taiwan 10617.
authors.forename: Kopin
authors.initials: K
authors.lastname: Liu
authors.affiliation: ‡Laboratory of Molecular Structure and Dynamics, Institute of Chemistry, Eötvös University, P.O. Box 32, H-1518 Budapest 112, Hungary.
authors.forename: Gábor
authors.initials: G
authors.lastname: Czakó