Akademik Veri Yönetim Sistemi
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.334, ss.165-171, 1995 (SCI-Expanded)
The electronic structures of the reactants and of the intermediate and final products of reaction between 4-formyl furan-2,3-dione and urea are calculated by the MNDO and AM1 methods. Taking into account that the proper electron and energy states are characteristic of transitional stages, the energy profile of the reaction is discussed. The reaction is initiated by the nucleophilic attack of the nitrogen atom of urea, directed onto the oxygen atom of the furan cycle.