Spectroscopic studies on the interaction between methyl glyoxal and ascorbic acid: Some experimental and theoretical aspects

Abstract

The interaction between methyl glyoxal (MG) and ascorbic acid (AA) has been studied both theoretically and experimentally using NMR and Raman spectroscopic techniques. A plausible explanation for the spectral changes has been suggested on the basis of hydrogen bonding interaction between the interacting species. The energetics of the interaction

between MG and AA has been studied at the AM1 level of approximation. The H ... O distance in the -CH₂OH ... O=C-fragment of the hydrogen bonded complex turns out to be quite small (2.22 Å). <i>Ab initio </i>calculations with DFT B3LYP/6/31 G(d,p) basis sets have been used to get confirmative evidences about the hydrogen bonded complex.