EFFECTS OF A QUANTUM-MECHANICALLY DRIVEN 2-STATE GATING MODE ON THE DIFFUSION-INFLUENCED BIMOLECULAR REACTIONS

The reduced distribution function formalism of diffusion-influenced bi molecular reactions is generalized to incorporate a quantum-mechanical gating mode in the description. An analytical expression for the reac tion rate coefficient: is obtained in the Laplace transform domain for a general initial condition, For a simple reaction model, the time-de pendent reaction rate coefficient and the product yield are calculated numerically for two representative initial conditions. Dependence of the rate coefficient and the product branching ratio on various reacti on parameters is discussed. (C) 1997 American Institute of Physics [S0 021-9606(97)50247-9].