Title of article
NHC catalyzed CO2 fixation with epoxides: Probable mechanisms reveal ter molecular pathway
Author/Authors
Ajitha، نويسنده , , Manjaly J. and Suresh، نويسنده , , Cherumuttathu H. Suresh، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2011
Pages
4
From page
5403
To page
5406
Abstract
Six different pathways for the NHC-mediated CO2 transformation reaction of epoxide to cyclic carbonate are investigated with DFT method at MPWB1K/6-311++G(3df,2p) level which confirms that the most favorable pathway is ter molecular in nature and passes through a regioselective SN2 anti-attack of NHC on the least substituted carbon of the epoxide-CO2 complex.
Keywords
Reaction Mechanism , Density functional theory , NHC catalysis , CO2 fixation , Ter molecular pathway
Journal title
Tetrahedron Letters
Serial Year
2011
Journal title
Tetrahedron Letters
Record number
1879375
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