文摘
7,8-dihydroquinoline-4,5 (1H,6H)-dione (1) and 7,8-dihydroquinoline-2,5-(1H,6H)-dione (2) in their tautomeric oxo and hydroxy forms have been studied by ab initio Hartree-Fock calculations; tautomerization energies predict a more stable hydroxy structure having an intramolecular hydrogen bond for compound 1, whereas the oxo form is slightly preferred for compound 2. Fourier Transform-Infra Red (FT-IR) spectra in CHCl3 solution indicate that the predicted most stable tautomers in the vapour phase remain as such.