THEORETICAL INVESTIGATIONS ON THE MECHANISM OF INTERACTION OF 4-FORMYL FURAN-2,3-DIONE AND UREA


YILDIRIM I. , SARIPINAR E. , GUZEL Y. , PATAT S. , Akçamur Y.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.334, pp.165-171, 1995 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 334
  • Publication Date: 1995
  • Doi Number: 10.1016/0166-1280(94)04024-m
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.165-171

Abstract

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.