C-H Activation

The impact of breaking a C-H bond is at the forefront of the research area of C-H activation. Our specific interest lies in the form the catalyst structure takes during the reaction process and what the active mechanism is.

When using a carboxylate base to activate a directing group (DG) C-H bond there are several theorised mechanisms that could be operating. Our most recent paper (DOI: 10.1039/c9ob01092k) explores the consequences for a Ru catalyst system when acetonitrile is the experimental solvent. The ability of the acetonitrile (MeCN) molecules to coordinate as a ligand to the ruthenium centre, and influence the coordination sphere at Ru was examined and the potential shown for dissociation of the arene co-ligand in these experimental conditions.

Recent Publications:

• A Computational Study on the Identity of the Active Catalyst Structure for Ru(II) Carboxylate Assisted C—H Activation in Acetonitrile (2019); DOI: 10.1039/C9OB01092K

• The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboyxlate-Assisted C-H Activation (2019); DOI: 10.1021/jacs.9b02073

• Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles (2015); DOI: 10.1021/jacs.5b04858