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DFT Studies of Alkene Insertions into Cu−B Bonds in Copper(I) Boryl Complexes.
- Source :
-
Organometallics . May2007, Vol. 26 Issue 11, p2824-2832. 9p. - Publication Year :
- 2007
-
Abstract
- DFT calculations have been carried out to study the insertion reactions of alkenes into the Cu−B bond in (NHC)Cu(boryl) complexes (NHC N-heterocyclic carbene). The nature of the insertion reactions and the relevant regiochemistry have been examined along with -hydride eliminations, which are followed by reinsertion of the alkene into the Cu−H bond. Hyperconjugation (i.e., bonding) between the Cu−C bond and the “empty” pzorbital on boron has been identified as the cause of the unexpectedly small Cu−C−B angle found experimentally by X-ray diffraction in -borylalkyl Cu(I) complexes. [ABSTRACT FROM AUTHOR]
- Subjects :
- *ORGANOMETALLIC chemistry
*ORGANIC chemistry
*PHYSICAL sciences
*CHEMISTRY
Subjects
Details
- Language :
- English
- ISSN :
- 02767333
- Volume :
- 26
- Issue :
- 11
- Database :
- Academic Search Index
- Journal :
- Organometallics
- Publication Type :
- Academic Journal
- Accession number :
- 25110693
- Full Text :
- https://doi.org/10.1021/om070103r