Theoretical Substituent Electrophilicities

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dc.contributor.authorCaroli Rezende, Marcos
dc.contributor.authorMillan, Daniela
dc.date.accessioned2024-01-10T13:43:53Z
dc.date.available2024-01-10T13:43:53Z
dc.date.issued2011
dc.description.abstractA Hammett-like equation, relating theoretical global and substituent electrophilicities, is derived for substituted ethylenes and benzoic acids, allowing the calculation of electrophilic substituent constants a.. Correlations are given between the theoretical a, constants and kinetic or thermodynamic parameters of various chemical processes from the literature. Though electrophilic substituent constants are formally similar to the Hammett constants, they are derived from entirely different theoretical postulates. The similarities and differences between the two sets of constants are discussed and rationalized in terms of the definition of the electrophilic power of a chemical species.
dc.description.funderFondo Nacional de Desarrollo Cientifico y Tecnologico (Fondecyt)
dc.format.extent9 páginas
dc.fuente.origenWOS
dc.identifier.doi10.1590/S0103-50532011001100009
dc.identifier.eissn1678-4790
dc.identifier.issn0103-5053
dc.identifier.urihttps://doi.org/10.1590/S0103-50532011001100009
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/78781
dc.identifier.wosidWOS:000297826000010
dc.information.autorucQuímica;Millan D ;S/I;181462
dc.issue.numero11
dc.language.isoen
dc.nota.accesoSin adjunto
dc.pagina.final2086
dc.pagina.inicio2078
dc.publisherSOC BRASILEIRA QUIMICA
dc.revistaJOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY
dc.rightsregistro bibliográfico
dc.subjectsubstituent electrophilicity
dc.subjectelectrophilicity index
dc.subjectHammett equation
dc.subjectsigma constants
dc.subjectHAMMETT CONSTANT
dc.subjectREACTIVITY
dc.subjectPARAMETER
dc.subjectPYRIDINES
dc.subjectHARDNESS
dc.subjectACIDITY
dc.subjectSCALES
dc.subjectINDEX
dc.subject.ods03 Good Health and Well-being
dc.subject.odspa03 Salud y bienestar
dc.titleTheoretical Substituent Electrophilicities
dc.typeartículo
dc.volumen22
sipa.codpersvinculados181462
sipa.indexWOS
sipa.indexScopus
sipa.trazabilidadCarga SIPA;09-01-2024
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