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Intermolecular vibrations of water molecules in the crystalline hydrates of MCl 2 ·2H 2 O (M=Cu, Fe, Mn, Ba, Co)
Author(s) -
Kondyurin A.,
Shkrabo D.
Publication year - 1998
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/(sici)1097-4555(199807)29:7<607::aid-jrs276>3.0.co;2-h
Subject(s) - intermolecular force , intramolecular force , chemistry , raman spectroscopy , molecule , force field (fiction) , crystal (programming language) , phase (matter) , crystallography , hydrate , stereochemistry , physics , organic chemistry , quantum mechanics , computer science , optics , programming language
Force constants of the water molecules in the crystal hydrates MCl 2 ·2H 2 O (M=Cu, Fe, Mn, Ba, Co) were analyzed using IR and Raman spectral data. The water intermolecular force constants and wavenumbers for the rock and translation vibrations were calculated using the relationship between changes in the intramolecular force field and the intermolecular force field appearing in the transition from the free state to the condensed phase of water molecules. The spectra of the crystalline hydrates in the low‐wavenumber region were interpreted. A correlation between the intermolecular force constants and the O w —Cl interatomic distance was observed. © 1998 John Wiley & Sons, Ltd.