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        Structure of Inclusion Compound C6H11Br/SC(NH2)2 Studied by X-ray Diffraction

        Toku Ishibashi,Mitsuo Machida,Nobumitsu Koyano 한국물리학회 2005 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.46 No.1

        Single crystal X-ray structure analysis has been carried out for bromocyclohexane/thiourea inclusion compound C6H11Br/SC(NH2)2. The structure analysis disclosed an arrangement of guest molecules and hydrogen bonds of the host subunit. The guest molecules are disordered among six orientations around the special positions (1/4, 1/4, 1/4) and (3/4, 3/4, 3/4) with D3d site symmetry. The disorder motion consists of a three-fold reorientation around the channel axis and three two-fold reorientations around the axes perpendicular to the channel axis.

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        NMR Study of the Orientational Phase Transition in the Monohalogen-substituted Cyclohexane/Thiourea Inclusion Compounds C6H11X/SC(NH2)2 (X=Cl, Br)

        Toku Ishibashi 한국물리학회 2009 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.55 No.2

        Thiourea host molecules form inclusion compounds with monohalogen-substituted cyclohexane guest molecules. C6H11X / SC(NH2)2 (X=Cl, Br) undergoes a phase transition from a hightemperature phase (HT phase), where the guest molecules reorient rapidly, to a low-temperature phase (LT phase). To study the guest motion in a thiourea host lattice, we measured the spin lattice relaxation time T1 of carbon nuclei. In the HT phase, log(T1) of both nuclei in guest molecules was linearly related to the inverse temperature. The relaxation was affected by the sufficiently isotropic motion of the guest molecule. In the LT phase, the temperature dependences showed a single-mode behavior. The mode can either be a three-fold reorientation (C3 reorientation) in the channel direction or two-fold reorientations (C2 reorientations) in the directions perpendicular to the channel. The observed mode was found to be a C3 reorientation for both samples. Thus, C3 reorientation shows a T1 minimum and freezes at a higher temperature than the C2 reorientations. Thiourea host molecules form inclusion compounds with monohalogen-substituted cyclohexane guest molecules. C6H11X / SC(NH2)2 (X=Cl, Br) undergoes a phase transition from a hightemperature phase (HT phase), where the guest molecules reorient rapidly, to a low-temperature phase (LT phase). To study the guest motion in a thiourea host lattice, we measured the spin lattice relaxation time T1 of carbon nuclei. In the HT phase, log(T1) of both nuclei in guest molecules was linearly related to the inverse temperature. The relaxation was affected by the sufficiently isotropic motion of the guest molecule. In the LT phase, the temperature dependences showed a single-mode behavior. The mode can either be a three-fold reorientation (C3 reorientation) in the channel direction or two-fold reorientations (C2 reorientations) in the directions perpendicular to the channel. The observed mode was found to be a C3 reorientation for both samples. Thus, C3 reorientation shows a T1 minimum and freezes at a higher temperature than the C2 reorientations.

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