Dynamics of hydrogen chloride elimination from halogenated ethane induced by infrared multiphoton absorption

Abstract

Dynamics of hydrogen chloride (HC1) elimination from halogenated hydrocarbon through three-center and four-center transition states has been elucidated by the measurement of translational, rotational, and vibrational energy distributions and ab initio molecular orbital (MO) calculations. Difference of the dynamics has been discussed on the basis of the transition state structures and/or structural change along intrinsic reaction coordinate calculated by an ab initio molecular orbital theory.