Self-assembly structure of the levulinic acid–melamine lattice
Ramaiyer Venkatraman
Department of Chemistry, Jackson State University, Jackson, MS
Search for more papers by this authorCorresponding Author
Paresh Chandra Ray
Department of Chemistry, Jackson State University, Jackson, MS
Department of Chemistry, Jackson State University, Jackson, MSSearch for more papers by this authorChan Soo Choi
Division of Hi-Tech Materials Science, Daejeon University, Daejeon, Korea
Search for more papers by this authorRamaiyer Venkatraman
Department of Chemistry, Jackson State University, Jackson, MS
Search for more papers by this authorCorresponding Author
Paresh Chandra Ray
Department of Chemistry, Jackson State University, Jackson, MS
Department of Chemistry, Jackson State University, Jackson, MSSearch for more papers by this authorChan Soo Choi
Division of Hi-Tech Materials Science, Daejeon University, Daejeon, Korea
Search for more papers by this authorAbstract
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. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
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