Formation of CNHC ∧Calkyl and CNHC ∧Caryl κ2-Chelate Complexes through Competitive sp3- and sp2-CH Activations: An Experimental and Computational Study

Bohme, Matthias D.; Termuhlen, Sebastian; Dutschke, Patrick D.; Hepp, Alexander; Hahn, F. Ekkehardt

Forschungsartikel (Zeitschrift) | Peer reviewed

Zusammenfassung

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 CNHC∧C chelate ring. Density functional theory (DFT) studies corroborated the experimental findings.

Details zur Publikation

FachzeitschriftACS Omega
Jahrgang / Bandnr. / Volume8
Ausgabe / Heftnr. / Issue50
StatusVeröffentlicht
Veröffentlichungsjahr2023 (23.12.2023)
DOI10.1021/acsomega.3c08427
StichwörterIrIII and RhIII NHC complexes

Autor*innen der Universität Münster

Böhme, Matthias Daniel
Professur für Anorganische Chemie (Prof. Hahn)
Dutschke, Patrick Dennis
Professur für Anorganische Chemie (Prof. Hahn)
Hahn, Franz Ekkehardt
Institut für Anorganische und Analytische Chemie
Hepp, Alexander
Institut für Anorganische und Analytische Chemie
Termühlen, Sebastian
Professur für Anorganische Chemie (Prof. Hahn)