ANISOTROPIC MOLECULAR POLARIZABILITIES, DIPOLE-MOMENTS, AND QUADRUPOLE-MOMENTS OF (CH2)2X, (CH3)2X, AND C4H4X (X = O, S, SE) - COMPARISON OF EXPERIMENTAL RESULTS AND ABINITIO CALCULATIONS

Measurements of the temperature dependence of the Cotton-Mouton effects, together with the Rayleigh depolarization ratios and mean polarizabilities, of species in the series (CH2)2X, (CH3)2X, and C4H4X (X = O, S) are reported and analyzed to yield optical-frequency (632.8 nm) principal polarizabilities of the relevant molecules. In addition, the previously developed 6(31G (+sd+sp) basis set is used to obtain SCF and MP2-level mean and anisotropic polarizabilities and also dipole and quadrupole moments for all nine molecules in the series (CH2)2X, (CH3)2X, and C4H4X (X = O, S, Se). The results elucidate the electronic charge distributions in these molecules.