What are HOMO and LUMO in the context of Catalysis?
The Highest Occupied Molecular Orbital (HOMO) and the Lowest Unoccupied Molecular Orbital (LUMO) are critical concepts within MO theory. In catalysis, the interaction between the HOMO of the reactant and the LUMO of the catalyst, or vice versa, is crucial for the catalytic activity. The energy gap between HOMO and LUMO can indicate how easily a reaction can occur.
