The cooperativity effect and the effect of self-association on the stretching force constants of acetonitrile

Semi-empirical MO calculations have been performed on CH, CC and CN stretching force constants for fifteen associated acetonitrile species. The clusters contain two to five acetonitrile molecules exhibiting linear and antiparallel association. The variations in the stretching force constants are discussed on the basis of intermolecular interactions and the cooperativity effect. © 1989.