Equimolar amounts of levulinic acid and melamine formed a self-assembled unit through a hydrogen-bonding network.Room-temperature single-crystal diffraction studies and FTIR spectroscopy of the system indicated adduct formation between melamine and levulinic acid.Ab initio Hartree-Fock (HF) and density functional theory (DFT) calculations,using the 6-31G(d,p) basis set,have been performed to investigate the gas-phase structure and IR frequencies.The theoretical parameters (geometry and vibrational frequencies) predicted by HF and DFT methods for the adduct are in good agreement with the experimental data.
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