期刊
ORGANIC LETTERS
卷 16, 期 12, 页码 3268-3271出版社
AMER CHEMICAL SOC
DOI: 10.1021/ol501283u
关键词
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资金
- Welch Foundation [A-1775]
- National Science Foundation [CHE-1266022]
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [1266022] Funding Source: National Science Foundation
Matile et al. introduced the concept of anion-pi catalysis [Angew. Chem., Int. Ed. 2013, 52, 9940; J. Am. Chem. Soc. 2014, 136, 2101], reporting naphthalene diimide (NDI)-based organocatalysts for the Kemp elimination reaction. We report computational analyses of the operative noncovalent interactions, revealing that anion-pi interactions actually increase the activation barriers for some of these catalyzed reactions. We propose new catalysts that are predicted to achieve significant lowering of the activation energy through anion-pi interactions.
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