Monitoring of the Pre-Equilibrium Step in the Alkyne Hydration Reaction Catalyzed by Au(III) Complexes: A Computational Study Based on Experimental Evidences

Monitoring of the Pre-Equilibrium Step in the Alkyne Hydration Reaction Catalyzed by Au(III) Complexes: A Computational Study Based on Experimental Evidences

The coordination ability of the [(ppy)Au(IPr)]<sup>2+</sup> fragment [ppy = 2-phenylpyridine, IPr = 1,3-<i>bis</i>(2,6-di-isopropylphenyl)-imidazol-2-ylidene] towards different anionic and neutral X ligands (X = Cl<sup>−</sup>, BF<sub>4</sub><sup>...

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Bibliographic Details
Main Authors: Flavio Sabatelli, Jacopo Segato, Leonardo Belpassi, Alessandro Del Zotto, Daniele Zuccaccia, Paola Belanzoni
Format: Article
Language:English
Published: MDPI AG 2021-04-01
Series:Molecules
Subjects:
gold(III) complexes
alkyne hydration
pre-equilibrium
coordination ability
density functional theory
catalyst design
Online Access:https://www.mdpi.com/1420-3049/26/9/2445

Internet

https://www.mdpi.com/1420-3049/26/9/2445

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