A RELATION BETWEEN X-RAY-DIFFRACTION BASED LIQUID STRUCTURE AND PACKING COEFFICIENT

A relation between the liquid structure and the molecules packing coefficient has been derived on the grounds of the experimental results of X-ray diffraction studies. The packing coefficient k was assumed to be a criterion of correctness of the structural models of 2-methyl-1-propanol and 2-methyl-2-propanol based on experimental results. This coefficient was estimated from the specific volumes of molecules V 0, volumes of elementary pseudocells V and the number of molecules comprised into these pseudocells. The volumes V of pseudocells were estimated from the same X-ray diffraction pattern as was used for determination of the liquid structure. The determined values of the packing coefficient support the chain-like structure of associates of liquid 2-methyl-1-propanol and reject the chain-like structure for liquid 2-methyl-2-propanol. © 1990 the Indian Academy of Sciences.