Brückner, Tobias, Fantuzzi, Felipe, Stennett, Tom E., Krummenacher, Ivo, Dewhurst, Rian D., Engels, Bernd, Braunschweig, Holger (2021) Isolation of Neutral, Mono-, and Dicationic B2P2 Rings by Diphosphorus Addition to a Boron−Boron Triple Bond. Angewandte Chemie International Edition, 60 (24). pp. 13661-13665. ISSN 1433-7851. E-ISSN 1521-3773. (doi:10.1002/anie.202102218) (KAR id:96286)
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Official URL: https://doi.org/10.1002/anie.202102218 |
Abstract
The NHC-stabilised diboryne (B2(SIDep)2; SIDep=1,3-bis(2,6-diethylphenyl)imidazolin-2-ylidene) undergoes a high-yielding P−P bond activation with tetraethyldiphosphine at room temperature to form a B2P2 heterocycle via a diphosphoryldiborene by 1,2-diphosphination. The heterocycle can be oxidised to a radical cation and a dication, respectively, depending on the oxidant used and its counterion. Starting from the planar, neutral 1,3-bis(alkylidene)-1,3-diborata-2,4-diphosphoniocyclobutane, each oxidation step leads to decreased B−B distances and loss of planarity by cationisation. X-ray analyses in conjunction with DFT and CASSCF/NEVPT2 calculations reveal closed-shell singlet, butterfly-shaped structures for the NHC-stabilised dicationic B2P2 rings, with their diradicaloid, planar-ring isomers lying close in energy.
Item Type: | Article |
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DOI/Identification number: | 10.1002/anie.202102218 |
Subjects: | Q Science > QD Chemistry |
Divisions: | Divisions > Division of Natural Sciences > Chemistry and Forensics |
Depositing User: | Felipe Fantuzzi |
Date Deposited: | 18 Aug 2022 08:40 UTC |
Last Modified: | 19 Aug 2022 08:59 UTC |
Resource URI: | https://kar.kent.ac.uk/id/eprint/96286 (The current URI for this page, for reference purposes) |
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