“…The PNP-Ir trihydride complex, 10, showed the highest TON (3,500,000) and TOF (150,000 h −1 ) to date. (Tanaka et al, 2009) In 2011, Hazari and co-workers investigated CO2 insertion into PNP-Ir hydrides using a computational method. (Schmeier et al, 2011) They evaluated the nucleophilicity of the hydride through its calculated NBO charge and found a strong correlation between the NBO charge of the hydride and the thermodynamics of CO2 insertion.…”