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Issue 19, 2011
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A study of out-of-plane cation dynamics in a bis-thiourea pyridinium chloride inclusion compound

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Abstract

The out-of-plane motion of the pyridinium cation in the bis-thiourea pyridinium chloride inclusion compound has been studied in a wide temperature range using 1H NMR, dielectric spectroscopy and quasielastic neutron scattering. The geometry of this motion is obtained from the Q-dependence of the elastic incoherent structure factor determined from the quasielastic neutron scattering measurements. We find that the pyridinium cation performs out-of-plane reorientations around the axis passing through two opposite atoms of the ring. The correlation times as a function of temperature were measured in the three known crystallographic phases, finding a good agreement between the three techniques employed. The activation energy for this motion changes from 5 ± 1 kJ mol−1 in the low-temperature phase to 1.2 ± 0.2 kJ mol−1 in the intermediate and high-temperature phases.

Graphical abstract: A study of out-of-plane cation dynamics in a bis-thiourea pyridinium chloride inclusion compound

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Publication details

The article was received on 30 Nov 2010, accepted on 04 Mar 2011 and first published on 04 Apr 2011


Article type: Paper
DOI: 10.1039/C0CP02716B
Citation: Phys. Chem. Chem. Phys., 2011,13, 8908-8914
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    A study of out-of-plane cation dynamics in a bis-thiourea pyridinium chloride inclusion compound

    A. Pajzderska, P. Czarnecki, J. P. Embs, M. A. Gonzalez, F. Juranyi, J. Krawczyk, B. Peplińska and J. Wąsicki, Phys. Chem. Chem. Phys., 2011, 13, 8908
    DOI: 10.1039/C0CP02716B

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