S. Lee et Jt. Hynes, TUNNELING RATE CONSTANTS FOR INTRAMOLECULAR HYDROGEN-ATOM TRANSFER-REACTIONS IN SOLUTION, Journal de chimie physique et de physico-chimie biologique, 93(10), 1996, pp. 1783-1807
A theory is presented for the rate constants for intramolecular hydrog
en atom tunneling reactions in solution, including the influence of a
weak coupling to the surrounding solvent and of a coupled intramolecul
ar vibration. General features are illustrated via model calculations.
An application is made to an experimental example, including both tem
perature dependence of and H/D kinetic isotope effects in the rate con
stant.