DFT study on the mecha nism of t he Forma tion of Mo nodentate Acetate C omplex of Palladium(II)

There ar e few investigations of reactions between squar e planar Pd(II) centers and carboxylic acids/carboxylates in aqueous solution. Shi and Elding [۱] described studies of equilibria an d kinetics for complex formation between [ Pd ( H۲O )۴ ] ۲+ and acetic , propionic, and glycolic acids, with the aim t o elucidate the reaction mechanism. Kinetics and equilibria for reversible formation of ۱:۱ monodentate complexes be tween [ Pd( H ۲ O )۴ ] ۲+ a nd acetic, p ropionic, an d glycolic acid (RCOOH) according to the equation (۱) were studied as a function of temperature and pressure in an aqueous medium [۱]:(...)In this work, the mechanism of the Fo rmation of Monodent ate Acetate Complex ofPalladiu m(II) has be en studied u sing density functional methods..

کلیدواژه ها:

Monodentate Acetate Comple x ، Mechanism ، Palladium ، Density functional theory