Abstract
Abstract X-ray absorption near-edge fine structure (XANES) analyses are carried out in order to study the local structure around a Cl atom of chloronaphthalene dissolved in the CH 3 I solution near the boiling point by use of full multiple scattering calculations. We find that less than six CH 3 I molecules surround the Cl atom at distance of about 4.73 A, which is larger than the sum of the van der Waals radii. CH 3 I molecules point their CI → vectors to the Cl atom. Other important information is the relative thermal fluctuation (Debye–Waller factor) between Cl and CH 3 I, which is quite large, ∼0.71 A. These features are essential to describe the intermolecular correlation in liquids, and are similar to those of supercritical fluids (SCFs).
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