Trifluoroethoxy-Coated Subphthalocyanines Attract Small Arenes in Their π-Concave Cavity.
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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01-internacional
Base de datos:
MEDLINE
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En
Revista:
Chempluschem
Año:
2018
Tipo del documento:
Article
País de afiliación:
Japón
Pais de publicación:
Alemania