The infrared spectra of CF3CH2F, CF3CH2Cl, CF3CH2Br, and CF3CH2I in the vapor and solid phase have been obtained, and normal coordinate calculations on the chlorine and bromine molecules have been carried out. From this study it has been possible to correct the previous assignments of vibrational fundamentals for these molecules.
EdgellW. F.RiethofT. R., and WardC., J. Mol. Spectry.11, 92 (1963).
2.
NielsenJ. R. and HalleyC. J., J. Mol. Spectry.17, 341 (1965).
3.
NielsenJ. R.LiangC. Y., and SmithD. S., J. Chem. Phys.21, 1060 (1953).
4.
NielsenJ. R. and TheimerR., J. Chem. Phys.27, 891 (1957).
5.
LafonB. and NielsenJ. R., J. Mol. Spectry.21, 175 (1966).
6.
WilsonE. B.DeciusJ. C., and CrossP. C., Molecular Vibrations (McGraw—Hill Book Co., New York, 1955).
7.
The refinement program used in this work was written by SchachtschneiderJ. H. and SnyderR. G. at the Shell Development Company. A Fortran deck and listing of this program was kindly given to use by Professor DragoR. of the University of Illinois. Included with this compilation was a second Shell Development program, SD-9064I, used to calculate G matrix elements.
8.
SchachtschneiderJ. H. and SnyderR. G., Spectrochim. Acta19, 117 (1963).
9.
SimanoutiT., J. Chem. Phys.17, 245 (1949).
10.
In constructing the general Urey—Bradley potential function for CF3CH2X molecules, it was assumed that the linear potential constants F'XY = 0.1 FXY. This usual approximation has been justified empirically: MannD. E.ShimanouchiT.MealJ. H., and FanoL., J. Chem. Phys.27, 43 (1957).
11.
ShimanouchiT. and SuzukiI., J. Mol. Spectry.6, 277 (1961).
12.
NielsenJ. R.ClaassenH. H., and SmithD. C., J. Chem. Phys.18, 1471 (1950).
13.
SheppardN., J. Chem. Phys.17, 79 (1949).
14.
SmithD. C.SaundersR. A.NielsenJ. R., and FergusonE. E., J. Chem. Phys.20, 847 (1952).
