Spectroscopic Manifestations and Implications for Catalysis of Quasi‐d10 Configurations in Formal Gold(III) Complexes

Several gold +I and +III complexes are investigated computationally and spectroscopically, focusing on the d‐configuration and physical oxidation state of the metal center. Density functional theory calculations reveal the non‐negligible electron‐sharing covalent character of the metal‐to‐ligand σ‐b...

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Veröffentlicht in:	Angewandte Chemie 2023-01, Vol.135 (3), p.n/a
Hauptverfasser:	Trifonova, Evgeniya A., Leach, Isaac F., Haas, Winfried B., Havenith, Remco W. A., Tromp, Moniek, Klein, Johannes E. M. N.
Format:	Artikel
Sprache:	eng
Schlagworte:	Absorption spectroscopy Bonding Catalysis Chemistry Computational Chemistry Configurations Copper Covalent Bonding Density functional theory Excitation spectra Gold Oxidation Oxidation States Substrates Valence
Online-Zugang:	Volltext
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