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
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