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Crystallographic and DFT studies on host-guest complexes consisting of zinc bisporphyrinates and 1-phenylethylamine.
- Source :
- Journal of Coordination Chemistry; Mar-Apr2019, Vol. 72 Issue 5-7, p1156-1170, 15p, 4 Diagrams, 2 Charts, 2 Graphs
- Publication Year :
- 2019
-
Abstract
- We have investigated the chirality transfer from 1-phenylethylamine to a 5-amino-1,3-phthalic acid diamide-linked zinc bisporphyrinate through crystallographic and DFT studies. When the hosts were mixed with optically pure 1-phenylethylamine, CD showed moderate signals in the Soret band region. Single crystals of the corresponding 1:1 and 1:2 host-guest complexes were obtained. We present the first crystallographic structure of a 1:2 host-guest complex consisting of a bisporphyrin host and chiral monoamine guests. The structure reveals that the host-guest interactions are different for two guest molecules. The first guest is involved in a hydrogen bond and π-π interactions, while the second one is only involved in π-π interactions, which has not been observed in previous studies. The corresponding chirality transfer mechanism was also rationalized by DFT calculations. [ABSTRACT FROM AUTHOR]
- Subjects :
- ZINC
SINGLE crystals
CHIRALITY
HYDROGEN bonding
RESORCINARENES
Subjects
Details
- Language :
- English
- ISSN :
- 00958972
- Volume :
- 72
- Issue :
- 5-7
- Database :
- Complementary Index
- Journal :
- Journal of Coordination Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 136415271
- Full Text :
- https://doi.org/10.1080/00958972.2019.1577962