5 research outputs found
Adduct formed by chromium trioxide and zwitterionic quinolinic acid
Chromium trioxide forms an adduct with zwitterionic quinolinic acid. The structure of the product was found to be (quinolinium-3-
carboxylato-O)trioxidochromium(VI), determined by single-crystal X-ray diffraction methods. To evaluate the bonding properties of
the compound, its structure was optimized at the B3LYP/6-311G* level of theory. The electronic characteristics were investigated by
topological methods applied to the total charge density in various model compounds including the title compound, title compound
with a HF molecule presenting a hydrogen bonding and anionic moiety. Calculated aromaticity indices indicate that the quinolinic rings
tend to conserve their degree of aromaticity against hydrogen bonding. However, when there is hydrogen bonding involving an N-H
bond or when the quinolinium zwitterion is deprotonated, there are clear changes in the interaction between chromium trioxide and
the quinolinic moiety