Topical Proton Affinities, Gas phase Basicities, Electron Affinity and Ionization Energy of ascorbic acid as a potential bio-catalyst

Ascorbic acid (vitamin C) has a role in lipid peroxidation reaction in living tissues. Therefore, thermodynamic quantities related to its ionization and proton transfer reactions have importance for its application for catalytic purposes. In this study, topical proton affinities, gas phase basicities, adiabatic and vertical ionization energies and electron affinities of ascorbic acid were calculated using DFT theoretical calculations. Topological analysis of atoms in molecules were used for studying the changes in molecular structures and chemical bond natures of protonated ascorbic acid isomers.