The conformation and reorientation of enclathrated 1,2-dichloroethane

Abstract

The rigid-lattice nmr line shape of the four-proton system in 1,2-dihaloethanes has been obtained by spectral simulation as a function of dihedral angle [Formula: see text] and used to show that 1,2-dichloroethane is encaged in the structure II hydrate in a gauche configuration with [Formula: see text] Very broad low-temperature dielectric absorption is associated with an average activation energy of 0.87 kcal/mol for guest-molecule reorientation.