What Techniques are Used for Mechanism Elucidation?
Several experimental and computational techniques are employed for mechanism elucidation:
Spectroscopic Methods: Techniques like NMR, IR, and UV-Vis spectroscopy can provide insights into the structure of intermediates. Kinetic Studies: By analyzing reaction rates under varying conditions, one can deduce information about the mechanism. Isotope Labeling: Using isotopically labeled reactants can help trace the path of atoms through the reaction. Computational Chemistry: Methods such as DFT and molecular dynamics simulations can predict transition states and reaction pathways.
