Deuteron Magnetic Resonance of Ferroelectric Potassium Ferrocyanide Trihydrate

The quadrupolar splittings and linewidths of the deuteron magnetic resonance of single crystals of ferroelectric K4Fe(CN)6·3D2O(KFCT) have been measured from −100° to 58°C. At low temperatures eight pairs of resonance lines are observed corresponding to four types of water molecules A, B, C, D, and their ac plane enantiomorphs A+, B+, C+, D+. The molecules are undergoing a fast 180° flip motion about the bisectrix of the DOD bond angle. At temperatures above the Curie temperature (−20°C) only two pairs of lines are observed which are shown to result from fast molecular reorientations within the sets A, C, A+, C+ and B, D, B+, D+. Molecular orientations are determined at low temperatures from rotation patterns and these become shifted for the C‐ and D‐type molecules in the transition to the paraelectric phase.A structure for ferroelectric KFCT is proposed based on the deuteron resonance data. Activation energies and frequency factors for the 180° flip, AC, and AA+ averaging motions are derived and discusse...

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