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Applied Spectroscopy

Applied Spectroscopy

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  • Vol. 42, Iss. 1 — Jan. 1, 1988
  • pp: 60–64

Rigid-Ion-Model Treatment of the Vibrational Spectra of Calcium and Strontium Chloride Hexahydrate Crystals

W. Kevin Winnett and Charles P. Nash

Applied Spectroscopy, Vol. 42, Issue 1, pp. 60-64 (1988)


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Abstract

Single-crystal Raman spectra at 77 K in the 80-3500 cm−1 range are reported for CaCl2·6H2O(D2O) and SrCl2·6H2O(D2O). Excellent fits to the experimental spectra were obtained with the use of a thirteen-parameter force field based on the rigid-on model supplemented with stretching and bending force constants for the water molecules and selected short-range force constants in the Bravais cell. The libration frequencies of both the bridging (four-coordinate) and the terminal (three-coordinate) water molecules were found to depend almost exclusively on their partial charges.

Citation
W. Kevin Winnett and Charles P. Nash, "Rigid-Ion-Model Treatment of the Vibrational Spectra of Calcium and Strontium Chloride Hexahydrate Crystals," Appl. Spectrosc. 42, 60-64 (1988)
http://www.opticsinfobase.org/as/abstract.cfm?URI=as-42-1-60

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