The Real Role of N-Heterocyclic Carbene in Reductive Functionalization of CO: An Alternative Understanding from Density Functional Theory Study.
The mechanisms of reductive functionalization of CO toformamide catalyzed by N-heterocyclic carbene (NHC) were comprehensively studied with DFT calculations. New activation mode with much lower energy barrier than those proposed before was discovered. In this reaction, NHC acts as neither a CO nor a...
| Publicado en: | Journal of the American Chemical Society Vol. 137; no. 32; pp. 10182 - 10190 |
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| Autores principales: | , |
| Formato: | Artículo |
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American Chemical Society
8/19/2015
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| Acceso en línea: | Ver este registro en EBSCOhost |