Uncoupled HDO Modes Caused by Metal Guest Ions in Crystal Matrices
The stretching frequencies of HDO molecules isolated in solid hydrates (isotopically dilute samples) are an excellent probe of the local potential of the water molecules. Unfortunately interpretation of the uncoupled 0H(0D) modes obtained in this way is complicated by the fact that one single parameter, namely the shift of the frequencies relative to those of gaseous HDO, represents a lot of different effects, as strength of H-bond acceptor groups, anharmonicity of the OH(OD) vibrations, repulsion potential of the lattice, distances to the acceptor groups, and metal oxygen interaction (M… OH2).
KeywordsMetal Water Local Potential Lower Wavenumbers Crystal Matrix Host Compound
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