Normal coordinate treatment and assignment of fundamental vibrations of vinyl fluoride and the seven deuterovinyl fluorides

The results of a unified normal coordinate treatment for vinyl fluoride and the seven deuterated species are presented. Our calculation confirms the out-of-plane assignment of Scherer and Potts. For the in-plane vibrations, we have used a modified valence-force type of potential function and, on the basis of the results, we are presenting a satisfactory assignment for most of the fundamentals. Investigation of the liquid spectra is recommended to resolve the ambiguity of the remaining few undecided in-plane fundamentals.The authors wish to thank both the Data Processing Center of Texas A & M University for the generous allotment of computer time during the early part of this investigation and the Bartlesville Petroleum Research Center of the Bureau of Mines for the key punch facilities during the latter part of this research. Thanks are also due Dr. Donald W. Scott of the Bartlesville Petroleum Research Center for stimulating discussions. This work was supported in part by the Thermodynamics Research Center Data Project (formerly the Manufacturing Chemists Association Research Project) and the National Bureau of Standards Office of Standard Reference Data.