Ah initio calculations have been performed for 6-X-2(1H)-Pyridones (X=H, NH2, Cl,CH3, NO2) and their tautomers in the gas phase and in aqueous solution at HF/6-311G level, the solvent effects were investigated with On...Ah initio calculations have been performed for 6-X-2(1H)-Pyridones (X=H, NH2, Cl,CH3, NO2) and their tautomers in the gas phase and in aqueous solution at HF/6-311G level, the solvent effects were investigated with Onsager SCRF model. The substituent effects predicted by theoretical calculations are in satisfactory agreement with the experimental values, and the results obtained indicate the significance of solvent effects involved in this system.展开更多
Five furan chalcones were synthesized by condensation of α acetofuranone with aromatic aldehydes in the presence of KF Al 2O 3.The UV Spectra of compounds 3(a～e)in sixteen solvents have been measured.Linear relation...Five furan chalcones were synthesized by condensation of α acetofuranone with aromatic aldehydes in the presence of KF Al 2O 3.The UV Spectra of compounds 3(a～e)in sixteen solvents have been measured.Linear relationship between V uv max and σ + p is obtained.展开更多
文摘Ah initio calculations have been performed for 6-X-2(1H)-Pyridones (X=H, NH2, Cl,CH3, NO2) and their tautomers in the gas phase and in aqueous solution at HF/6-311G level, the solvent effects were investigated with Onsager SCRF model. The substituent effects predicted by theoretical calculations are in satisfactory agreement with the experimental values, and the results obtained indicate the significance of solvent effects involved in this system.
文摘Five furan chalcones were synthesized by condensation of α acetofuranone with aromatic aldehydes in the presence of KF Al 2O 3.The UV Spectra of compounds 3(a～e)in sixteen solvents have been measured.Linear relationship between V uv max and σ + p is obtained.
