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.
| Original language | English |
|---|---|
| Pages (from-to) | 9165-9172 |
| Number of pages | 8 |
| Journal | Physical Chemistry Chemical Physics |
| Volume | 13 |
| Issue number | 20 |
| DOIs | |
| Publication status | Published - May 28 2011 |
Fingerprint
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Physics and Astronomy(all)
Cite this
A 14N nuclear quadrupole resonance study of phase transitions and molecular dynamics in hydrogen bonded organic antiferroelectrics 55DMBP-H2ca and 1,5-NPD-H2ca. / Seliger, Janez; Žagar, Veselko; Asaji, Tetsuo; Gotoh, Kazuma; Ishida, Hiroyuki.
In: Physical Chemistry Chemical Physics, Vol. 13, No. 20, 28.05.2011, p. 9165-9172.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - A 14N nuclear quadrupole resonance study of phase transitions and molecular dynamics in hydrogen bonded organic antiferroelectrics 55DMBP-H2ca and 1,5-NPD-H2ca
AU - Seliger, Janez
AU - Žagar, Veselko
AU - Asaji, Tetsuo
AU - Gotoh, Kazuma
AU - Ishida, Hiroyuki
PY - 2011/5/28
Y1 - 2011/5/28
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=79955626566&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=79955626566&partnerID=8YFLogxK
U2 - 10.1039/c0cp02873h
DO - 10.1039/c0cp02873h
M3 - Article
C2 - 21483963
AN - SCOPUS:79955626566
VL - 13
SP - 9165
EP - 9172
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
SN - 1463-9076
IS - 20
ER -