Abstract

We present a combination of hyperspherical and cylindrical coordinates to describe diatom–diatom reactions in which one diatom bond is nonreactive. This hybrid system of coordinates is termed hypercylindrical. It naturally leads to a description of the reaction as an atom–diatom reaction embedded within a larger polyatomic framework. The kinematics, coordinate transformations, Hamiltonians, etc. are given in detail for collinear systems, and then generalized in several ways with the same condition that one diatomic bond is nonreactive. In one generalization the nonreactive diatom is allowed to rotate; however, with its center of mass collinear with the other two atoms. The generalization to 3-dimensional reactions is briefly considered, and finally some remarks are made generalizing to polyatom-polyatom reactions in which only one bond is broken and a new one formed.

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