Beschreibung:
<jats:title>Abstract</jats:title><jats:p>The present work reviews a systematic spectroscopic investigation of water in the single crystal K<jats:sub>4</jats:sub>Fe(CN)<jats:sub>6</jats:sub> · 3H<jats:sub>2</jats:sub>O (KFCT) and its isotopic solid solutions. On the basis of precise polarization measurements of Raman spectra and infrared studies, the positions of the OH(OD) oscillators in the ordered crystal state (<jats:italic>T</jats:italic> < 150 K) are determined. Overtones and combinations of water vibrations in the near infrared region are studied that allow for the evalution of the coupling and anharmonicity constants of the modes. The isotopic dilution technique is used in order to investigate the influence of intra‐ and intermolecular interactions on the OH(OD) vibrations. Information about the distortion of the water molecules, as well as many correlations between spectral parameters of OH(OD) stretchings and structural characteristics of H bonds in KFCT, are derived. As a result, a complete picture of the vibrational dynamics and the structure of the crystallization water in KFCT is obtained.</jats:p>