Publication - Journal Article Optimizing conditions for utilization of an H₂ oxidation catalyst with outer coordination sphere functionalities

[Ni(PCy2NArginine2)2]2+ (CyArg) or [Ni(PCy2NBenzyl2)2]2+ (CyBn) were evaluated for H₂ oxidation as a function of temperature, pressure, and solvent. 70 °C and 100 atm H₂ result in a TOF of 1.1 × 106 s⁻¹ and an overpotential of 240 mV for CyArg in water. In methanol the rates were 280 s⁻¹ for CyArg and 80 s⁻¹ for CyBn, demonstrating the importance of water and the outer coordination sphere (OCS).