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Anharmonic and Coordination Effects in the Internal Modes of Water in CoCl2.2H2O and CoCl2.2D2O

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Several workers have reported the infrared band positions in the internal mode region of water in CoCl2 ยท 2H2O and its deuterated analog, but no data are available regarding their bandwidths and intensities, which give essential clues to ascertain the coordination effects in the lattice. In the present work these data have been obtained and the spectra have been discussed in terms of hydrogen bonding and M—Ow coordination. A simple model is used for estimating the intensity ratio of the ν1 and ν2 bands of bound water. In the ν2 mode the mechanical and electrical anharmonicities have been computed and discussed.

Keywords: Anharmonic and coordination effects; Infrared, spectra; Molecular structure

Document Type: Short Communication

DOI: http://dx.doi.org/10.1366/000370275774455185

Affiliations: 1: Physics Department, H. B. Technological Institute, Kanpur, India 2: Physics Department, Indian Institute of Technology, Kanpur, India

Publication date: March 1, 1975

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