Basicities of primary arylamines and calculated amine nitrogen electronic charges

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dc.contributor.authorLeite, SRD
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2020-12-10T16:29:25Z
dc.date.available2020-12-10T16:29:25Z
dc.date.issued1998-01-01
dc.description.abstractMulliken charges on nitrogen atoms were calculated for several arylamines, utilizing the AM1 Quantum Chemistry method, relating their values to experimental amine pKa Direct relation between pKa and nitrogen charges was found. The amines energies of protonation, calculated by the same method, also correlate directly with these charges.en
dc.description.affiliationUniv Estadual Paulista, Inst Quim, BR-14801970 Araraquara, SP, Brazil
dc.description.affiliationUnespUniv Estadual Paulista, Inst Quim, BR-14801970 Araraquara, SP, Brazil
dc.format.extent71-80
dc.identifier.citationEcletica Quimica. Sao Paulo: Editora Unesp, v. 23, p. 71-80, 1998.
dc.identifier.issn0100-4670
dc.identifier.urihttp://hdl.handle.net/11449/194541
dc.identifier.wosWOS:000079164000006
dc.language.isoeng
dc.publisherEditora Unesp
dc.relation.ispartofEcletica Quimica
dc.sourceWeb of Science
dc.subjectarylamines
dc.subjectbasicity
dc.subjectN Mulliken charge
dc.subjectAM1
dc.titleBasicities of primary arylamines and calculated amine nitrogen electronic chargesen
dc.typeArtigo
dcterms.rightsHolderEditora Unesp

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