Showing papers by "Kurt E. Shuler published in 1953"

Adiabatic Correlation Rules for Reactions Involving Polyatomic Intermediate Complexes and their Application to the Formation of OH(2Σ+) in the H2–O2 Flame

Abstract: Adiabatic orbital and spin correlation rules applicable to a detailed study of elementary chemical reactions involving nonlinear polyatomic intermediate complexes have been formulated and are presented together with some pertinent correlation tables. These correlation rules and tables permit the determination of the adiabatically allowed term manifold of reaction products from the states of the separated reactants without reference to their detailed electronic configurations. The formulation presented here utilizes group theoretical arguments relating to the symmetry properties of the reactants, the intermediate reaction complex, and the products and is based principally upon the results obtained previously by Mulliken for the resolution of species into those of point groups of lower symmetry. The effects of the change of the (geometrical) configuration of the intermediate reaction complex during reaction and of the electronic‐vibrational coupling on these correlations have been considered in detail. It i...