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
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
Journal title :
Tetrahedron