期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 53, 期 38, 页码 10139-10142出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201405901
关键词
boranes; chalcogen bonds; crystal structures; sulfur; X-ray diffraction
资金
- Academy of Sciences of the Czech Republic [RVO 61388963]
- Czech Science Foundation [P208/12/G016, P208/10/2269]
- Gilead Sciences and IOCB Research Centre
- Operational Program Research and Development for Innovations-European Science Fund [CZ.1.05/2.1.00/03.0058]
- IT4Innovations Centre of Excellence project - European Regional Development Fund [CZ.1.05/1.1.00/02.0070]
- national budget of the Czech Republic via the Research and Development for Innovations Operational Programme
- Czech Ministry of Education, Youth and Sports via the project Large Research, Development and Innovations Infrastructures [LM2011033]
The chalcogen bond is a nonclassical sigma-hole-based noncovalent interaction with emerging applications in medicinal chemistry and material science. It is found in organic compounds, including 2D aromatics, but has so far never been observed in 3D aromatic inorganic boron hydrides. Thiaboranes, harboring a sulfur heteroatom in the icosahedral cage, are candidates for the formation of chalcogen bonds. The phenylsubstituted thiaborane, synthesized and crystalized in this study, forms sulfur center dot center dot center dot pi type chalcogen bonds. Quantum chemical analysis revealed that these interactions are considerably stronger than both in their organic counterparts and in the known halogen bond. The reason is the existence of a highly positive sigma-hole on the positively charged sulfur atom. This discovery expands the possibilities of applying substituted boron clusters in crystal engineering and drug design.
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