Infrared Gas Phase Intensity Measurements, Polar Tensors, And Effective Charges Of Vinylidene Fluoride And Its Deuterated Modifications

All gas phase fundamental vibrational intensities for vinylidene fluoride and its deuterated modifications have been measured. Isotopic invariance, G sum rule, and quantum chemical information have been used in selecting preferred experimental values for the dipole moment derivatives and polar tensor elements of these molecules. The values of these intensity parameters are compared with those found for other molecules. The experimental values are interpreted in terms of electronic charge distortions occurring in these molecules for the various vibrations. © 1982 American Institute of Physics.7731099110

Infrared Gas-phase Intensity Measurements, Polar Tensors, And Effective Charges Of Trans-difluoro- And Trans-dichloroethylene

All gas-phase fundamental vibrational intensities of trans-C2H2F2, -C2D2F2, -C2HDF2, -C2H2Cl2 and -C2D2Cl2 have been measured. Isotopic invariance, G sum rule, and quantum chemical information have been used as criteria in selecting preferred experimental values for the dipole-moment derivatives and polar-tensor elements of the Bu (infrared-active) symmetry species of these molecules. The polar tensors of cis-C2H2F2 and -C2H2Cl2 are shown to provide accurate estimates of the vibrational intensities of all the above-mentioned trans-difluoro- and trans-dichloroethylenes, respectively. These polar tensors are also used to calculate the directions of the in-plane dipole-moment derivatives of these molecules. © 1984 American Chemical Society.88352152