The complete set of atom pair correlation functions of liquid chloroform as obtained from a final neutron scattering experiment with H/D isotopic substitution

Abstract

A neutron scattering experiment has been performed on a CHCl₃/CDCl₃ sample with zero coherent scattering length for hydrogen. The study performed at 20°C with two different wavelengths (0·7 and 0·5 Å) allowed a detailed investigation of the data analysis procedure. In particular the inelasticity correction to self scattering has been computed on the basis of monoatomic gas model. One has also found that in the case of strong inelasticity the multiple scattering became angular dependent. The fully corrected coherent differential cross section was separated into an intra- and an intermolecular part from which the molecular parameters were determined.

Combining the intermolecular contribution of CHCl₃/CDCl₃ with the results of experiments on CDCl₃, CD ³⁵Cl₃, CD ³⁷Cl₃ and CHCl₃ and using the known C-C atom pair correlation function, the complete set of atom pair correlation functions were computed and the most probable orientation between two chloroform molecules in the liquid phase was investigated. The most satisfactory figuration discovered up to now is one in which the molecule dipole axes are inclined with respect to each other and the hydrogen atom is tilted toward the hollow between two chlorine atoms of the next molecule.