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Vibration Spectra of Ferrocyanide Ions in the Paraelectric Phase of K4[Fe(CN)6] · 3H2O

Lattice, rotation and intermolecular vibrations of ferrocyanide ions in the paraelectric phase of potassium ferrocyanide trihydrate (KFCT) crystals are calculated using the correlation theorem based on the group theory. The correlation for the lattice vibrations of the ions between their site group symmetry C i and the factor group C 2h of the crystal yield six fundamental lattice vibrations allowed in the infrared spectrum. The same number for rotations are expected to be allowed in the Raman spectrum. The active number of intermolecular vibrations in Raman and infrared spectra are 30 and 34 vibrations, respectively. The FTIR spectrum of KFCT measured at room temperature (in the paraelectric phase) in the frequency range 4000-200 cm -1 gives the same modes of vibrations as those calculated theoretically. The effect of irradiating KFCT crystals with a γ-dose of 5 × 10 5 Gy on the IR spectrum indicates minor changes in absorption bands.