Electron transfer oxidation kinetics of copper (II) catalyzed reaction between lysine and HCF (III): An experimental and theoretical approach

Extensive research has been conducted on the copper (II) catalyzed oxidation reaction between lysine and hexacyanoferrate (III) in basic media. The equation k_obs = a + b[OH⁻] describes how the medium affects this reaction, which has first-order kinetics for both reactants and Cu (II). As the ionic strength rises, so does the rate of reaction. The thermodynamic and activation parameters were precisely ascertained by applying the Arrhenius and Eyring equations. A thorough spectral analysis was used to establish the outcome products during reaction. Using Taft's and Swain's multiparametric equations, which provide light on solvent effects, the behavior of the reaction in different organic solvents was also investigated.

Remarkably, Kamlet-Taft's solvatochromic parameters (α, β, π∗) and the rate constants exhibited a substantial association, underscoring the important influence of solvent characteristics on reaction kinetics. Nevertheless, it was discovered that the reaction constants were not significantly affected by solute-solvent interactions.

Density Functional Theory (DFT) computations at the B3LYP/6–311∗g (d,p) level further confirm the reaction mechanism that has been hypothesized based on the kinetic observations. The suggested mechanism is strongly supported by the computational results, which demonstrate a significant correlation between the activation energy barriers and the reactivity trends shown in the kinetic studies.