Back to Search
Start Over
Fe or Fe-NO catalysis? A quantum chemical investigation of the [Fe(CO)3(NO)](-)-catalyzed Cloke-Wilson rearrangement.
- Source :
-
Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2014 Jun 10; Vol. 20 (24), pp. 7254-7. Date of Electronic Publication: 2014 May 09. - Publication Year :
- 2014
-
Abstract
- A quantum chemical investigation of the Bu4N[Fe(CO)3(NO)]-catalyzed Cloke-Wilson rearrangement of vinyl cyclopropanes is reported. It was found that allylic C-C bond activation can proceed through a SN2' or SN2-type mechanism. The application of the recently reported intrinsic bond orbital (IBO) method for all structures indicated that one Fe-N π bond is directly involved. Further analysis showed that during the reaction oxidation occurs at the NO ligand exclusively.<br /> (© 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)
Details
- Language :
- English
- ISSN :
- 1521-3765
- Volume :
- 20
- Issue :
- 24
- Database :
- MEDLINE
- Journal :
- Chemistry (Weinheim an der Bergstrasse, Germany)
- Publication Type :
- Academic Journal
- Accession number :
- 24817507
- Full Text :
- https://doi.org/10.1002/chem.201402716