Proton Transfer in Hydrogen Bond

Abstract

Wave functions, energy levels, transition moments, tunnelling coefficients, and chemical kinetic constants for a model of hydrogen bonding are obtained by solving numerically one dimensional Schrödinger equation. The proton tunnelling is possible for the hydrogen bond of appropriate distance between donor and acceptor 2.70∼2.95 Å. The proton behaves like a harmonic oscillator for shorter distance. The proton exchange in the course of the vibration will be unobservable for longer distance.