Quantum mechanical study on the mechanism and kinetics of the hydrolysis of organopalladium Complex [Pd(CNN)P(OMe)3]+ in low acidity range

► We propose a mechanism for the hydrolysis of [Pd(CNN)P(OMe)3]+. ► B3LYP functional with LANL2DZ basis set for Pd atom are used. ► A model is presented in which an enol form is produced in the rate determining step. ► The calculated parameters are in good agreement with the experimental values.