• Title of article

    Ethylene glycol to acetaldehyde-dehydration or a concerted mechanism

  • Author/Authors

    William B Smith، نويسنده ,

  • Issue Information
    هفته نامه با شماره پیاپی سال 2002
  • Pages
    4
  • From page
    2091
  • To page
    2094
  • Abstract
    Two possible mechanisms have been proposed to account for the rearrangement of ethylene glycol to acetaldehyde. The first is a rearrangement with a hydride shift occurring in concert with the loss of a water molecule. The second is an acid catalyzed dehydration reaction proceeding through the enol to yield acetaldehyde. DFT calculations are presented which show the first postulation to be the lower energy pathway by a considerable margin.
  • Keywords
    Dehydration , pinacol rearrangement , Density functional , B3LYP , concerted
  • Journal title
    Tetrahedron
  • Serial Year
    2002
  • Journal title
    Tetrahedron
  • Record number

    1082879