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

1 January 1955

journal article
Published by CSIRO Publishing in Australian Journal of Chemistry

Vol. 8 (1) , 39-50
https://doi.org/10.1071/ch9550039

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.

Keywords

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