The aromaticity of 5,6-dihydroborauracil, borauracil and benzoborauracil systems

The nucleus-independent chemical shift (NICS) indices of aromaticity, calculated for four boron compounds, 4-hydroxy-5,6-dihydroborauracil, 4-hydroxyborauracil, borazine and 4-hydroxybenzoborauracil, and parent uracil, were analyzed in parallel with the NMR properties, in order to learn more about the aromaticity of those heterocyclic systems. The existence of a unique solvent-dependent aromaticity of 4-hydroxyborauracil is indicated.

The nucleus-independent chemical shift (NICS) indices of aromaticity have been calculated and discussed for four boron compounds: 4-hydroxy-5,6-dihydroborauracil, 4-hydroxyborauracil, borazine, 4-hydroxybenzoborauracil and also for uracil. The NMR properties of the compounds mentioned are also shown along with the discussion of aromaticity in those heterocyclic systems. The NMR experimental data suggest the existence of unique solvent-dependent aromaticity of 4-hydroxyborauracil.Figure optionsDownload as PowerPoint slide