Molecular conformations from magnetic anisotropies

Abstract

A method is developed for determining molecular conformations through analysis of experimental molar Cotton-Mouton constants in conjunction with known anisotropic magnetic susceptibilities and electric polarizabilities for structural groups. Molar Cotton-Mouton constants (× 10¹⁶ e.m.u.), and derived interplanar angles, for molecules as solutes in carbon tetrachloride at 20°C are: biphenyl (+ 70, 0°); 2,2′-bipyridyl (+ 76, 25°); 9,9′-bianthryl (+160, 62°); 9-phenylanthracene (+ 157, 70°); 1-phenylnaphthalene (+79, 66°); 1,3,5-triphenylbenzene (+169, 35°).