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Nature of Intermediates in Organo-SOMO Catalysis of α-Arylation of Aldehydes
The intramolecular α-arylation of aldehydes via organo-SOMO catalysis was investigated using density functional theory (B3LYP and M06-2X functionals). The geometries, spin densities, Mulliken charges, and molecular orbitals of the reacting enamine radical cations were analyzed, and the nature of the...
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| Main Authors: | , , , , |
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| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
2010
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2862978/ https://ncbi.nlm.nih.gov/pubmed/20387888 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja9063074 |
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