Relationship between the Crystal Structure and NMR Relaxation of Dibromoanthracenes

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  • ジブロモアントラセンの結晶構造とNMR緩和現象の関係

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<p>The 9,10-dibromoanthracene(9,10-DBAn) forms a flexible and bendable single crystal with a long needle shape, while the anthracene and the 2,6-DBAn form a plate-shape single crystal with rigid and brittle properties. The 1,8-DBAn also forms a single crystal with a needle shape, however it is rigid and not bendable. These differences in the crystal shape and mechanical properties were studied by X-ray diffraction analysis and NMR relaxation. X-ray diffraction analysis revealed that the flexible and bendable single crystal with a needle shape has a face-to-face packing structure, while that of the rigid and brittle crystal with a plate shape builds an edge-to-face packing. In addition, the temperature dependence of the 13C spin-lattice relaxation time obtained from the solid-state 13C NMR revealed the molecular motion difference between the face-to-face and edge-to-face packing structures, and the molecular motion of the 9,10-DBAn in the single crystal is faster than that in the powder state.</p>

Journal

  • BUNSEKI KAGAKU

    BUNSEKI KAGAKU 71 (12), 687-692, 2022-12-05

    The Japan Society for Analytical Chemistry

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