Abstract
The structure of molecular liquid Se2Br2 was analyzed by means of reverse Monte Carlo structural modeling, using a calculation based on high-energy x-ray diffraction data. It was found that, between the optical isomers of L and D types, the number of L–D neighboring molecular pairs increases, while that of the L–L and D–D pairs decreases with increasing temperature. From this temperature dependence and from the relaxation mode analysis of quasi-elastic neutron scattering spectra, it is reasonable to assume that the presence of L–D pairs relates to genuine inter-molecular interactions while the L–L and D–D pairs appear due to geometrical packing of the gauche-shaped molecules.
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