Matches in SemOpenAlex for { <https://semopenalex.org/work/W3128547228> ?p ?o ?g. }
- W3128547228 endingPage "364" @default.
- W3128547228 startingPage "343" @default.
- W3128547228 abstract "The donor/acceptor components of metal-carbon bonds between perfluorinated ethylene (η2-C2F4), or perfluorobenzene (η6-C6F6), in representative transition metal complexes have been evaluated using density functional theory, coupled with energy decomposition analysis (EDA) and natural orbitals for chemical valence (NOCV). Comparisons to their hydrocarbon analogs have also been made. Two families of compounds were studied; ML2(η2-C2X4) [M=Ni, Pd, Pt; L=CO, PH3, L2=1,2-bis(dimethylphosphino)ethane; X=F, H] and ML3(η6-C6X6) [M=Cr, Mo, W; L=CO, PH3, L3=η6-C6H6; X=F, H]. As expected, η2-C2F4 is found to be a relatively weak σ-donor but a strong π-acceptor in the M-C-C plane; in addition, a mutually perpendicular π-acceptor component is revealed using EDA-NOCV. In compounds containing η6-C6F6, δ-backbonding dominates over π-donation and σ-donation is weak, but a significant σ-acceptor component has been revealed that is substantially stronger than σ-donation from the fluorinated ring, making η6-C6F6 a net σ-acceptor ligand. Analogous σ-acceptor properties of hydrocarbon arenes are insignificant." @default.
- W3128547228 created "2021-02-15" @default.
- W3128547228 creator A5076191791 @default.
- W3128547228 date "2021-01-01" @default.
- W3128547228 modified "2023-09-23" @default.
- W3128547228 title "Metal-carbon bonding in perfluoroethylene and perfluorobenzene transition metal complexes. Some underappreciated π- and σ-acceptor components" @default.
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