Formation of CNHCâ§Calkyl and CNHCâ§Caryl κ2-Chelate Complexes through Competitive sp3- and sp2-CH Activations: An Experimental and Computational Study.
ACS Omega
; 8(50): 48515-48521, 2023 Dec 19.
Article
em En
| MEDLINE
| ID: mdl-38144098
ABSTRACT
Depending on the chelate ring present, cyclometalated complexes are useful catalysts for various reactions. The reactivity of IrIII and RhIII NHC complexes bearing aliphatic or aromatic N,N'-substituents and thus featuring various metalation sites toward cyclometalation has been investigated. The RhIII complex bearing an N-mesityl-N'-benzyl-NHC does not participate in any cyclometalation, while the IrIII complex reacts under metalation of an ortho-methyl group of the Mes substituent to give complex [3] with a six-membered chelate ring. The RhIII and IrIII complexes bearing an N-o-tolyl,N-benzyl-NHC undergo sp2-CH activation to yield the cyclometalated complexes [4] and [5] featuring a five-membered CNHCâ§C chelate ring. Density functional theory (DFT) studies corroborated the experimental findings.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
ACS Omega
Ano de publicação:
2023
Tipo de documento:
Article
País de afiliação:
Alemanha