Structure and Dynamics of Chlorocyclohexane/Thiourea Inclusion Compound C_6H_<11>Cl/SC(NH_2)_2 Studied by X-ray Diffraction and ^1H-NMR(Condensed Matter : Structure, Mechanical and Thermal Properties)

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概要

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• Structure and dynamics of chlorocyclohexane/thiourea inclusion compound C_6H_<11>Cl/SC(NH_2)_2 have been studied by single crystal X-ray structure analysis and ^1H-NMR. The structure analysis at room temperature disclosed hydrogen bonds in host subunit and molecular arrangement of chlorocyclohexane guest molecule. In the host subunit, thiourea molecule has fairly good planarity and its N and S atoms are bounded by two and four hydrogen bonds grouped into two types, respectively. Inside the thiourea channel, the guest molecules are disordered among six orientations around the special positions with site symmetry D_<3d>. Proton second moments of C_6H_<11>Cl/SC(NH_2)_2 and C_6H_<11>Cl/SC(ND_2)_2 gave the following results about the dynamics of the host subunit in the high-temperature phase stable above 197K. In C_6H_<11>Cl/SC(NH_2)_2, amino group undergoes a uniaxial rotation about its C-N bond, and this rotation begins to freeze at 240K. For C_6H_<11>Cl/SC(ND_2)_2, the freezing temperature of this rotation is found to elevate by 30K. This phenomenon can be understood by the isotope effect on the NH_2 rotation, hindered by the hydrogen bonds. The both moments exhibit slightly discontinuous changes in the phase transition and increase with decreasing temperature even in the low-temperature phase.

• 社団法人日本物理学会の論文
• 2004-09-15

著者

• KOBAYASHI Tadashi

  Department of Physics, Aoyama Gakuin University

• MACHIDA Mitsuo

  Department of Physics, Kyushu University

• ISHIBASHI Toku

  Department of Physics, Kyushu University

• KOYANO Nobumitsu

  Reserch Reactor Institute, Kyoto University

• KOYANO Nobumitsu

  Research Reactor Institute, Kyoto University

• Kobayashi Tadashi

  Department Of Cardiology Aichi Medical University

• Machida M

  Department Of Physics Kyushu University

• Machida Mitsuo

  Department Of Chemistry And Physics Condensed Matter Kyosho University

• Mitsuo Machida

  Department Of Physics Kyushu University

• Ishibashi T

  Department Of Physics Kyushu University

• Ishibashi Toku

  Department Of Chemistry And Physics Condensed Matter Kyosho University

• Koyano N

  Reserch Reactor Institute Kyoto University

• Koyano Nobumitsu

  Research Reactor Institute Kyoto University

• Kobayashi Tadashi

  Department Of Electrical And Electronic Engineering Oita University

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