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- Preprint (Vorabdruck) (2) (entfernen)
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- Englisch (2) (entfernen)
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- DFT mechanism (1)
- amine borane dehydrocoupling (1)
- boron (1)
- diboranes (1)
- diborene (1)
- reactive intermediates (1)
- reductive coupling (1)
- transfer hydrogenation (1)
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EU-Projektnummer / Contract (GA) number
- 669054 (2)
The reductive coupling of an NHC-stabilized aryldibromoborane yields a mixture of trans- and cis-diborenes in which the aryl groups are coplanar with the diborene core. Under dilute reduction conditions two diastereomers of a borirane-borane intermediate are isolated, which upon further reduction give rise to the aforementioned diborene mixture. DFT calculations suggest a mechanism proceeding via nucleophilic attack of a dicoordinate borylene intermediate on the aryl ring and subsequent intramolecular B-B bond formation.
The transfer hydrogenation of NHC-supported diborenes with dimethylamine borane proceeds with high selectivity for the trans-1,2-dihydrodiboranes(6). DFT calculations suggest a stepwise proton-first-hydride-second reaction mechanism via an intermediate μ-hydrodiboronium dimethylaminoborate ion pair.