A REINVESTIGATION OF THE FORCE CONSTANTS OF ETHYLENE

Abstract

During a study of the potential force fields of a series of related olefins, it was found necessary to reexamine the force constant calculations for the in-plane vibrations of ethylene. The application of the Valence Force Field, the Urey-Bradley Force Field, and the Hybrid Orbital Force Field was studied. In order to compare the results obtained from the three force fields, the same set of internal coordinates and the same set of symmetry coordinates were used in all the calculations. The resulting force constants, normal coordinates, and potential energy distributions will be discussed individually and collectively. The feasibility of transferring force constants to more complicated olefins will be considered.