期刊
JOURNAL OF MOLECULAR STRUCTURE
卷 891, 期 1-3, 页码 143-150出版社
ELSEVIER
DOI: 10.1016/j.molstruc.2008.03.025
关键词
Imidazolium undecachlorodibismuthate (III); Inelastic incoherent neutron scattering; DFT Calculations; Internal dynamics by H-1 NMR method
资金
- Super Computer and Network Centre (PCSC) in Poznan
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.
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