Abstract

Based on the known experimental frequencies of three isotopic forms of the crystal hydrates M⋅Cl2⋅2H2O(M=Mn, Co, Fe, and Cu), the force constants of the M2+⋅OH2⋅2Cl− complexes are determined by solving the inverse spectral problems. A quantitative estimate is made of how the divalent cation interacting with the water molecule affects its dynamic properties. It is shown that the presence of the M2+ cation in the region of the undivided electron pairs of the H2O molecule increases the interaction force constant of its bonds by 0.065×10⁶ cm⁻². This value is an order of magnitude smaller than the change of the indicated force constant in hexagonal ice, caused by the influence of two adjacent proton-donor molecules on the water molecule. © 2005 Optical Society of America

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