Experimental Methods To measure TON and TOF, controlled experiments are conducted where the initial and final concentrations of the reactants and products are determined using analytical techniques like gas chromatography (GC) or high-performance liquid chromatography (HPLC). For selectivity, the composition of the reaction mixture is analyzed to determine the proportion of the desired product.
Computational Methods In addition to experimental methods, computational chemistry tools such as density functional theory (DFT) can predict catalytic behavior and efficiency metrics. These tools help in understanding the reaction mechanisms and identifying potential catalysts before experimental validation.
