The calculatin of atomic polarizations for Benzene and certain other Polyatomic molecules

Abstract

Formulae are presented for the a priori computation of the atomic polarizations: of the following molecular types : X₂YZ (linear), XY₂Z₂ (tetrahedral), XZY₃ (tetrahedral), X₂Y₆, and X₆Y₆ (plane hexagonal). Comparison is made between calculation and experiment for 21 compounds. Bond moments are calculated for four compounds from _AP expt. New determinations of total polarization as vapours are recorded for benzene, p-xylene, mesitylene, p-dichlorobenzene, p-dibromobenzene, diphenyl, cyclohexane, 1,4-dioxane, tetrachloroethylene, naphthalene, and hexachlorobenzene. A rough additivity is shown to exist among the values of (EP+AP) for 26 benzenoid molecules containing -Cl, -Br, =0, -NO₂, -CN, and ?CH₃ as substituents.