Back to Search
Start Over
Bonding and the role of electrostatics in driving C–C bond formation in high valent organocopper compounds.
- Source :
-
Chemical Communications . 1/4/2023, Vol. 59 Issue 1, p98-101. 4p. - Publication Year :
- 2023
-
Abstract
- The electronic structures and contrasting reactivity of [Cu(CF3)4]− and [Cu(CF3)3(CH3)]− were probed using coupled cluster and ab initio valence bond calculations. The Cu–C bonds in these complexes were found to be charge shift bonds. A key finding is that electrostatics likely prevent [Cu(CF3)4]− from accessing a productive transition state for C–C bond formation while promote one for [Cu(CF3)3(CH3)]−. These results therefore highlight essential design criteria for Cu-mediated C–C/C–heteroatom bond formation. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 13597345
- Volume :
- 59
- Issue :
- 1
- Database :
- Academic Search Index
- Journal :
- Chemical Communications
- Publication Type :
- Academic Journal
- Accession number :
- 160930900
- Full Text :
- https://doi.org/10.1039/d2cc05865k