Properties determined by the electronic charge density

The electronegativity difference between C and S is less than between O and C and the distribution of charge in a C-S bond shows a wider variation in its properties. The net charge on C in CSj is not twice the magnitude found in CS, as it is in the oxygen analogues. 

The 7 -donating/withdrawing ability of a substituent X in the substituted phenyls j)-X is found to be the same as that observed in the substituted formyl derivatives, XHC=0. The effect of most of the same group of substituents on the charge distribution and moment of the ethyl group has also been studied (Slee et al. 1988). The ordering of the total charge withdrawal by X is found to be the same in all three series of molecules. 

Information corresponding to the k populations of the orbital model is recovered in the quadrupole polarization of the atomic charge densities, a property of the total charge density. A quadrupolar polarization of the density along the z-axis, eqn (6.48), has the form of a d i orbital, a removal of charge from a plane and its concentration in an axial direction perpendicular to the plane (Fig. 6.1) for 0. In benzene and ethylene, with the z-axis perpendicular to the plane containing the nuclei, Qjj(C) = — 3.34 and = 

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