Internal dynamics of (C3N2H5)5Bi2Cl11 studied by IINS, 1H NMR and QC methods

The low temperature inelastic incoherent neutron scattering spectra of pentakis (imidazolium) undecachlorodibismuthate (III) [(C3N2H5)(5)Bi2Cl11] were discussed versus different models of reference structures obtained by quantum chemical calculations in the energy transfer range up to 1200 cm(-1). The second moment of H-1 NMR line and spin-lattice relaxation times were employed to study the internal dynamics of imidazolium cation at the ferroelectric-paraelectric phase transition. (c) 2008 Elsevier B.V. All rights reserved.