Jb. Castro et Jr. Anacona, NORMAL-COORDINATE ANALYSIS AND CORIOLIS COUPLING-CONSTANTS OF ETHYLENE TYPE MOLECULES, C2X4 (X=F, CL, BR, I), Journal of molecular structure. Theochem, 110(3), 1994, pp. 273-278
A complete set of Coriolis coupling constants was calculated for C2F4,
C2Cl4, C2Br4 and C2I4 using the formulation of Meal and Polo. The har
monic force field required to evaluate the coupling constants was obta
ined via the iterative consistency Koptev method. The resulting force
field and the Coriolis coupling constants were tested by prediction of
experimental vibrational frequencies and application of the sum rules
, respectively. The inertia defects for the ground vibrational state w
ere also calculated.