Fanfrlík, Jindřich, Holub, Josef, Růžičková, Zdeňka et al. (6 more authors) (2016) Competition between Halogen, Hydrogen and Dihydrogen Bonding in Brominated Carboranes. ChemPhysChem. pp. 3373-3376. ISSN 1439-4235
Abstract
Halogen bonds are a subset of noncovalent interactions with rapidly expanding applications in materials and medicinal chemistry. While halogen bonding is well known in organic compounds, it is new in the field of boron cluster chemistry. We have synthesized and crystallized carboranes containing Br atoms in two different positions, namely, bound to C- and B-vertices. The Br atoms bound to the C-vertices have been found to form halogen bonds in the crystal structures. In contrast, Br atoms bound to B-vertices formed hydrogen bonds. Quantum chemical calculations have revealed that halogen bonding in carboranes can be much stronger than in organic architectures. These findings open new possibilities for applications of carboranes, both in materials and medicinal chemistry.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2016 John Wiley & Sons, Inc. This is an author-produced version of the published paper. Uploaded in accordance with the publisher’s self-archiving policy. Further copying may not be permitted; contact the publisher for details. |
Keywords: | bromine,carboranes,halogen bonds,sigma holes,X-ray crystal structure |
Dates: |
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Institution: | The University of York |
Academic Units: | The University of York > Faculty of Sciences (York) > Chemistry (York) |
Funding Information: | Funder Grant number EPSRC EP/I004122/2 |
Depositing User: | Pure (York) |
Date Deposited: | 09 Sep 2016 08:50 |
Last Modified: | 21 Jan 2025 17:22 |
Published Version: | https://doi.org/10.1002/cphc.201600848 |
Status: | Published |
Refereed: | Yes |
Identification Number: | 10.1002/cphc.201600848 |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:104550 |