Mechanistic investigation on the formation of metal-acetate and metal-formate via CO2 insertion on a series of phosphine-ligated ruthenium(II) species with alkyl and hydride bonds have been carried out using NMR and in situ infrared spectroscopy. Results from computational studies including the effect of various ancillary ligands on the overall energetics of insertion and their supporting experimental work are also described herein. Both the data support electron-rich complexes in facilitating better CO2 insertion and also show that acetate products are thermodynamically more stable than metal-formates. These studies illustrate the possibility of rationally designing catalysts for fixing CO2 via C-C bond formation subsequent to C-H bond activation.

Kinetics and mechanism of CO<sub>2</sub> insertion into Ru-C and Ru-H bonds

245th National Meeting (2013)

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Kinetics and mechanism of CO2 insertion into Ru-C and Ru-H bonds

Kinetics and mechanism of CO₂ insertion into Ru-C and Ru-H bonds