Determination of the most stable structures of selected hydroxypyrones and their cations and anions

@article{Zborowski2003DeterminationOT,
  title={Determination of the most stable structures of selected hydroxypyrones and their cations and anions},
  author={K. Zborowski and R. Gryboś and L. Proniewicz},
  journal={Journal of Molecular Structure-theochem},
  year={2003},
  volume={639},
  pages={87-100}
}
Equilibrium geometries of selected hydroxypyrones were determined using quantum-mechanical calculations. Computations were performed for all possible structures of pyromeconic acid, maltol, ethylmaltol and kojic acid. Tautomerism of protonated and deprotonated (kojic acid) forms of the studied compounds were also taken into account. For all neutral tautomers of investigated compounds it was shown that the most stable was enolic form. Cationic species were created by protonation of the keto… Expand

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