Molecular quadrupole moments and magnetic anisotropies of non-dipolar 1,3,5-trisubstituted benzenes

Abstract

The molecular quadrupole moments and magnetic anisotropies of a series of non-dipolar 1,3,5-trisubstituted benzenes (C 6H 3X 3; X=H, Me, t-Bu, F, Cl, Br) are analysed to obtain information concerning the charge distributions. Whereas alkyl groups have relatively little effect on benzene. halogen substituents are strongly interactive and the moments become progressively less negative from 1.3.5-tribromo-to 1.3.5-trifluoro-benzene.