• Title of article

    An isodesmic reaction based approach to aromaticity of a large spectrum of molecules

  • Author/Authors

    Suresh، نويسنده , , Cherumuttathu H. and Koga، نويسنده , , Nobuaki، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2006
  • Pages
    7
  • From page
    550
  • To page
    556
  • Abstract
    A new thermodynamic scale of aromaticity is devised for a large spectrum of organic molecules using isodesmic reactions. The present scale named Earoma quantifies aromaticity as the average stabilization of a conjugated bond in a cyclic/extended cyclic conjugated system as compared to a matching linear conjugated one. The Earoma values showed good agreement with the HOMA, NICS0, NICS1, MESP, and ASE indices of aromaticity. Earoma scale offers an easy way to compare the aromaticity of molecules in different categories to that of benzene.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2006
  • Journal title
    Chemical Physics Letters
  • Record number

    1917685