A structural investigation of liquid chloroform

Starting from neutron scattering experiments on the species CDCl3, CD35Cl3, CD37Cl3 and CHCl3 the expansion coefficients of the generalized pair correlation function g00000(R), g00101(R), g00202(R), and g00110(R) are determined and analyzed quantitatively, thus providing preferred positions and orientations of the molecules in liquid chloroform. From the same set of experimental data the chlorine-chlorine pair correlation function and the weighted sum of the chlorine-hydrogen and chlorine-carbon pair correaltion functions are evaluated. The most probable configuration between two chloroform molecules in the liquid phase is derived from the position of the first peak of the corresponding pair correlation function. Both ways of description yield a consistent structural picture; namely the dipole axes are inclined and the hydrogen atoms point into the hollow between two chlorine atoms. (orig.)