Enhanced Reactivity in Dioxirane C-H Oxidations via Strain Release: A Computational and Experimental Study

The site- and stereo-selectivities of C-H oxidations of substituted cyclohexanes and trans-decalins by dimethyldioxirane (DMDO) were investigated computationally with quantum mechanical density functional theory (DFT). The multi-configuration CASPT2 method was employed on model systems to establish...

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Autori principali: Zou, Lufeng, Paton, Robert S., Eschenmoser, Albert, Newhouse, Timothy R., Baran, Phil S., Houk, K. N.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2013
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Article
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3631471/
https://ncbi.nlm.nih.gov/pubmed/23461537
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jo400350v
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