The following is an abstract for the selected article. A PDF download of the full text of this article is available here. Members may download full texts at no charge. Non-members may be charged a small fee for certain articles.
Rigid-Ion-Model Treatment of the Vibrational Spectra of Calcium and Strontium Chloride Hexahydrate Crystals
Volume 42, Number 1 (Jan. 1988) Page 60-64
Winnett, W. Kevin; Nash, Charles P.
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.