Monte Carlo calculation of energy and electron transfer in a monolayer of spheroids

Abstract

Orientation-sensitive reactions have been modelled within equilibrium Monte Carlo distributions of reactants in a monolayer. The model consists of hard oblate spheroids with their centres in a plane. Configuration averages of a dipole–dipole energy-transfer rate constant and of an electron-transfer atomic-orbital overlap were calculated. The apparent reaction order is greater than two over most of the density range studied and is sensitive to orientational ordering.