Energetics of key Au( iii )-substrate adducts relevant to catalytic hydroarylation of alkynes - Université de Pau et des Pays de l'Adour Access content directly
Journal Articles Dalton Transactions Year : 2023

Energetics of key Au( iii )-substrate adducts relevant to catalytic hydroarylation of alkynes

Abstract

(P,C)-cyclometalated Au(iii) complexes have shown remarkable ability to catalyze the intermolecular hydroarylation of alkynes. Evidence of an outer-sphere mechanism has been provided in a previous study and is confirmed here by analysing the experimental data and DFT calculations. In this work, we propose evaluation of critical energies of dissociation of Au(iii) complexes with different substrates via energy-resolved mass spectrometry (ERMS) experiments and kinetic modelling. The kinetic model is based on a multi-collisional approach. On the one hand, the classification confirms the mechanism previously proposed; on the other hand, it supports the collisional model and its application to particularly fragile adducts.
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hal-04243590 , version 1 (30-04-2024)

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Matthieu Regnacq, Denis Lesage, Marte Holmsen, Karinne Miqueu, Didier Bourissou, et al.. Energetics of key Au( iii )-substrate adducts relevant to catalytic hydroarylation of alkynes. Dalton Transactions, 2023, 52 (38), pp.13528-13536. ⟨10.1039/d3dt02393a⟩. ⟨hal-04243590⟩
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