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Structural properties of charge-transfer complexes of four- and five-layered [3.3]metacyclophanes |
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| Authors: | Masahiko Shibahara Motonori Watanabe Chang Yuan Teruo Shinmyozu |
| Institution: | a Department of Chemistry, Faculty of Education and Welfare Science, Oita University, 700 Dannoharu, Oita 870-1192, Japan b Institute for Materials Chemistry and Engineering (IMCE), Kyushu University 6-10-1 Hakozaki, Fukuoka 812-8581, Japan c Department of Chemistry, Graduate School of Sciences, Kyushu University 6-10-1 Hakozaki, Fukuoka 812-8581, Japan |
| Abstract: | In the solid state, the cyclophane (CP) moieties of the charge-transfer (CT) complexes of four- and five-layered 3.3]metacyclophanes (MCPs) 1 and 2 with tetracyanoethylene (TCNE) take different conformations from those in the solid state of the free MCPs. In the four-layered 3.3]MCP 1-TCNE complex, the CP moiety takes an s-shaped syn-anti-syn geometry, whereas the inner three benzene rings take the all-syn geometry and the two outer 3.3]MCP moieties have deformed anti-conformations in the five-layered 3.3]MCP 2-TCNE complex. In the crystal-packing diagrams of each complex, intermolecular CH/π-type interactions are observed between adjacent molecules. |
| Keywords: | Metacyclophanes Charge-transfer complex X-ray structural analysis Theoretical calculations |
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