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RESEARCH PRODUCT
[pi]-strain-induced electrophilicity in small cycloalkynes: a dft analysis of the polar cycloaddition of cyclopentyne towards enol ethers
Patricia PérezPatricia PérezRenato ContrerasLuis R. Domingosubject
Organic ChemistryContext (language use)PhotochemistryEnolAryneCycloadditionchemistry.chemical_compoundMolecular geometrychemistryComputational chemistryElectrophileReactivity (chemistry)Density functional theoryPhysical and Theoretical Chemistrydescription
Small cycloalkynes possess a π-strain-induced electrophilicity related to the bending of the C–Csp–Csp bond angle. For cyclopentyne and benzyne, the electrophilicity index defined in the context of density functional theory gives a coherent rationale for the reactivity of these cycloalkynes, which may act as electrophiles in polar cycloaddition reactions toward enol ethers. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2006-01-01 |