Computational Insights of Selective Intramolecular O‐atom Transfer Mediated by Bioinspired Copper Complexes

The stereoselective copper‐mediated hydroxylation of intramolecular C−H bonds from tridentate ligands is reinvestigated using DFT calculations. The computational study aims at deciphering the mechanism of C−H hydroxylation obtained after reaction of Cu(I) precursors with dioxygen, using ligands bear...

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Veröffentlicht in:	Chemistry : a European journal 2022-11, Vol.28 (66), p.e202202206-n/a
Hauptverfasser:	Gamboa‐Ramirez, Stefani, Faure, Bruno, Réglier, Marius, Simaan, A. Jalila, Orio, Maylis
Format:	Artikel
Sprache:	eng
Schlagworte:	bioinorganic chemistry Bonding Chemical Sciences Chemistry Computer applications Coordination chemistry Copper Copper - chemistry Copper compounds C−H abstraction Hydroxylation Ligands or physical chemistry Oxygen - chemistry Peroxides - chemistry quantum chemistry reaction mechanism Stereoselectivity Theoretical and
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