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Issue 20, 2011
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A 14N nuclear quadrupole resonance study of phase transitions and molecular dynamics in hydrogen bonded organic antiferroelectrics 55DMBP–H2ca and 1,5-NPD–H2ca

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Abstract

The temperature dependence of the 14N NQR frequencies has been measured in antiferroelectric and paraelectric 55DMBP–H2ca and 1,5-NPD–H2ca. In both compounds we observe two non-equivalent nitrogen positions (N+–H⋯O and N⋯H–O) in the antiferroelectric phase. The two nitrogen positions become equivalent (N⋯H⋯O) in the paraelectric phase. The critical exponent of the local antiferroelectric order parameter has been determined from the NQR data. The principal values of the quadrupole coupling tensor correlate in both compounds. The correlation diagrams clearly show how a proton migrates from the antiferroelectric position towards the paraelectric position in the bifurcated hydrogen bond on increasing the temperature. A slow motion has been observed in 55DMBP–H2ca by the 1H and 14N spin–lattice relaxation. An analysis of the spin–lattice relaxation data suggests a slow exchange between two non-planar conformations of the bipyridine molecule.

Graphical abstract: A 14N nuclear quadrupole resonance study of phase transitions and molecular dynamics in hydrogen bonded organic antiferroelectrics 55DMBP–H2ca and 1,5-NPD–H2ca

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Article information


Submitted
14 Dec 2010
Accepted
15 Mar 2011
First published
11 Apr 2011

Phys. Chem. Chem. Phys., 2011,13, 9165-9172
Article type
Paper

A 14N nuclear quadrupole resonance study of phase transitions and molecular dynamics in hydrogen bonded organic antiferroelectrics 55DMBP–H2ca and 1,5-NPD–H2ca

J. Seliger, V. Žagar, T. Asaji, K. Gotoh and H. Ishida, Phys. Chem. Chem. Phys., 2011, 13, 9165
DOI: 10.1039/C0CP02873H

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