Add time:07/15/2019         Source:sciencedirect.com

The theory developed in the preceding paper for calculating the vibrational frequencies of molecules in terms of mixtures of vibrations within groups, and skeletal vibrations due to group rotations and translations, is applied to C2H6 and C2D6. It is shown that the matrix elements in the secular equation which reveal the couplings between the intragroup vibrations on the two CH3 (or CD3) groups can be neglected, as can the coupling between the intragoup vibrations on one CH3 (or CD3) and the rotational and translational displacements of the other. If these approximations are valid in other hydrocarbons the matrix elements for the couplings of the CH3 (or CD3) intragroup modes in C2H6 and C2D6 can be carried over without change to the larger hydrocarbons. When all couplings between intragroup and skeletal modes are neglected the results are still quite good, provided no approximations are made in the terms required for computing the skeletal frequencies.

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