Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 53, Issue 7, Pages 1901-1905Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201309677
Keywords
density functional calculations; hydrogenation; iridium; NMR spectroscopy; reaction mechanisms
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Funding
- National Natural Science Foundation of China [21172143, 21232004]
- Nippon Chemical Industrial Co., Ltd
- Shanghai Jiao Tong University
- CAMPUS Asia Program of Tohoku University
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The mechanism of the asymmetric hydrogenation of exocyclic ,-unsaturated carbonyl compounds with the (aS)-Ir/iPr-BiphPhox catalyst was studied by NMR experiments and DFT computational analyses. Computed optical yields of the asymmetric hydrogenation proceeding by an iridium(I)/iridium(III) mechanism involving a transition state stabilized through two intramolecular hydrogen bonds are in good accordance with the experimental eevalues.
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