6533b7d5fe1ef96bd1263cb9
RESEARCH PRODUCT
Reactivity of the carbon-carbon double bond towards nucleophilic additions. A dft analysis
Patricia PérezRenato ContrerasLuis R. Domingosubject
chemistry.chemical_classificationNucleophilic additionDouble bondOrganic ChemistryReinforced carbon–carbonBiochemistrychemistryNucleophileComputational chemistryDrug DiscoveryElectrophileOrganic chemistryMoleculeDensity functional theoryReactivity (chemistry)description
Abstract The global and local electrophilicity indexes have been used to characterize the reactivity pattern of the CC double bond towards nucleophilic addition reactions. A wide family of molecules including ketones, esters, anhydrides, nitriles and nitrocompounds containing appropriate substitution on the CC double bond have been classified within an unique scale of reactivity. The predictive capability of the theoretical model is tested against a series of benzylidenemalononitriles and substituted α-nitrostilbenes.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2004-07-01 |