| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5275019 | Tetrahedron Letters | 2011 | 4 Pages |
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.
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Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Manjaly J. Ajitha, Cherumuttathu H. Suresh,