期刊
CHEMISTRY-A EUROPEAN JOURNAL
卷 18, 期 23, 页码 7128-7140出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201103474
关键词
coordination chemistry; density functional calculations; hydroaminomethylation; NMR spectroscopy; rhodium
资金
- CNRS
- UPS
- HOLIS Technologies Company
- Ministerio de Educacion y Ciencia [CTQ2010-15835, CSD2006-0003]
The reactivity of [Rh(CO)2{(R,R)-Ph?BPE}]BF4 (2) toward amine, CO and/or H2 was examined by high-pressure NMR and IR spectroscopy. The two cationic pentacoordinated species [Rh(CO)3{(R,R)-Ph?BPE}]BF4 (4) and [Rh(CO)2(NHC5H10){(R,R)-Ph-BPE}]BF4 (8) were identified. The transformation of 2 into the neutral complex [RhH(CO)2{(R,R)-Ph?BPE}] (3) under hydroaminomethylation conditions (CO/H2, amine) was investigated. The full mechanisms related to the formation of 3, 4 and 8 starting from 2 are supported by DFT calculations. In particular, the pathway from 2 to 3 revealed the deprotonation by the amine of the dihydride species [Rh(H)2(CO)2{(R,R)-Ph?BPE}]BF4 (6), resulting from the oxidative addition of H2 on 2.
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