The separation between uncoupled ν3 and ν1 frequencies of water symmetrically bound in both nonaqueous solvents and hydrates has been shown to vary linearly with the HOD stretching frequency of water, for both H2O and D2O. This relation, the FS correlation, has been explored theoretically and it has been shown to be useful for estimating geometry changes of water in hydrates, upon deuteration. It is also useful in determining the effect of cation coordination on the stretching frequencies of water molecules. A method is also developed, using this relation, for systematically analyzing the origin of the stretching bands of water in condensed systems.
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