Ion-Pairing Crystal Polymorphs of Interlocked [2 + 1]-Type Receptor–Anion Complexes
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- Ryohei Yamakado
- Department of Applied Chemistry, College of Life Sciences, Ritsumeikan University, Kusatsu 525-8577, Japan
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- Ryuma Sato
- Department of Physics, Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8577, Japan
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- Yasuteru Shigeta
- Department of Physics, Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8577, Japan
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- Hiromitsu Maeda
- Department of Applied Chemistry, College of Life Sciences, Ritsumeikan University, Kusatsu 525-8577, Japan
書誌事項
- 公開日
- 2016-08-26
- 資源種別
- journal article
- DOI
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- 10.1021/acs.joc.6b01688
- 公開者
- American Chemical Society (ACS)
この論文をさがす
説明
The formation of a solid-state totally charge-segregated assembly (polymorph A) of negatively charged layers comprising [2 + 1]-type Cl(-) complexes of an arylethynyl-substituted dipyrrolyldiketone boron complex and positively charged layers of tetrabutylammonium (TBA) cations has already been reported. The formation of two new crystalline polymorphs (polymorphs B and C), in addition to polymorph A, is reported in this study. Both polymorphs B and C formed charge-by-charge assemblies, and the dihedral angles between two receptor units in the interlocked complexes depended on the geometries of TBA cations and the resulting packing structures. Two nonorthogonally arranged planes induced P- and M-form chiral geometries, providing diverse arrangements of chiral species according to crystal polymorphs. Furthermore, the stabilities of the three polymorphs were examined by interfragment interaction energies, which were calculated by ab initio electronic structure calculations using the fragment molecular orbital (FMO) method.
収録刊行物
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- The Journal of Organic Chemistry
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The Journal of Organic Chemistry 81 (18), 8530-8536, 2016-08-26
American Chemical Society (ACS)