Molecular Orbital Verification of Microwave-Driven Chemistry: Synthesis of Fluorescein without Solvent and Catalyst

摘要

MW-driven synthesis is characterized by a high reaction rate and selectivity to target molecules. We found that fluorescein can be synthesized by solvent and acid catalyst-free MW-driven thermal reactions The so-called MW thermal catalysis predicts that resorcinol and phthalic anhydride aggregates in the stationary state via hydrogen bonds and van der Waals and Coulomb interactions (vdW&Clb), and the molecularly integrated aggregates bring about large dielectric medium, being activated thermally under MW irradiation. The solvent/catalyst-free formation of fluorescein is verified by computational molecular orbital analysis.