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Trifluoroethoxy-Coated Subphthalocyanines Attract Small Arenes in Their π-Concave Cavity.
Mori, Satoru; Wang, Jiandong; Tokunaga, Etsuko; Shiro, Motoo; Matsumoto, Takashi; Tsuzuki, Seiji; Shibata, Norio.
Afiliación
  • Mori S; Department of Nanopharmaceutical Sciences, Nagoya Institute of Technology, Gokiso, Showa-ku, Nagoya, 466-8555, Japan.
  • Wang J; Department of Nanopharmaceutical Sciences, Nagoya Institute of Technology, Gokiso, Showa-ku, Nagoya, 466-8555, Japan.
  • Tokunaga E; Department of Nanopharmaceutical Sciences, Nagoya Institute of Technology, Gokiso, Showa-ku, Nagoya, 466-8555, Japan.
  • Shiro M; Rigaku Corporation, 3-9-12, Matsubara-cho, Akishima-shi, Tokyo, 196-8666, Japan.
  • Matsumoto T; Rigaku Corporation, 3-9-12, Matsubara-cho, Akishima-shi, Tokyo, 196-8666, Japan.
  • Tsuzuki S; Research Center for Computational Design, of Advanced Functional Materials (CD-FMat), National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki, 305-8568, Japan.
  • Shibata N; Department of Nanopharmaceutical Sciences, Nagoya Institute of Technology, Gokiso, Showa-ku, Nagoya, 466-8555, Japan.
Chempluschem ; 83(3): 95-98, 2018 Mar.
Article en En | MEDLINE | ID: mdl-31957336
X-ray crystallographic analyses of a series of trifluoroethoxy-substituted subphthalocyanines disclosed that a molecule of toluene is clasped at the center of the molecular concave cavity. Twelve trifluoroethoxy substituents, which flexibly surround the toluene molecule to hold it on the 14 π-electron-conjugated surface of the subphthalocyanines, can also catch a molecule of benzene. In contrast, a nonsubstituted subphthalocyanine does not show the same phenomena, and two subphthalocyanine units are required to maintain a small aromatic compound in their concave cavity. DFT calculations of the complexes were conducted to better understand the arene clathrates. Trifluoroethoxy-substituted subphthalocyanines can be used to prepare arene clathrates as a result of their concave space. This is a unique approach to obtaining X-ray crystal structures of small noncrystalline aromatic compounds.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Chempluschem Año: 2018 Tipo del documento: Article País de afiliación: Japón Pais de publicación: Alemania

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Chempluschem Año: 2018 Tipo del documento: Article País de afiliación: Japón Pais de publicación: Alemania