TOPOLOGIA DOS ORBITAIS MOLECULARES DE POLIENOS PARA DEDUZIR ENERGIAS RELATIVAS E AVALIAR AROMATICIDADE

Detalhes bibliográficos
Autor(a) principal: Cunha,Silvio
Data de Publicação: 2018
Tipo de documento: Artigo
Idioma: por
Título da fonte: Química Nova (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422018000700825
Resumo: A didactic alternative approach is proposed for deducing the molecular orbital topology of acyclic and cyclic polyenes and then evaluating their bonding, antibonding, and nonbonding character. The relative energies of molecular orbitals of neutral molecules and ions were described, in addition to the orbital degeneracy to cyclic conjugated polyenes, and the method deduce correctly the relative stability of polyenes. This alternative method complements the lack of explanation of a substantial number of organic chemist undergraduate textbooks in relation to orbital degeneracy in benzene and is a pedagogical approach to teach aromaticity and antiaromaticity.
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spelling TOPOLOGIA DOS ORBITAIS MOLECULARES DE POLIENOS PARA DEDUZIR ENERGIAS RELATIVAS E AVALIAR AROMATICIDADEaromaticityundergraduate organic chemistry teachorbital topologyA didactic alternative approach is proposed for deducing the molecular orbital topology of acyclic and cyclic polyenes and then evaluating their bonding, antibonding, and nonbonding character. The relative energies of molecular orbitals of neutral molecules and ions were described, in addition to the orbital degeneracy to cyclic conjugated polyenes, and the method deduce correctly the relative stability of polyenes. This alternative method complements the lack of explanation of a substantial number of organic chemist undergraduate textbooks in relation to orbital degeneracy in benzene and is a pedagogical approach to teach aromaticity and antiaromaticity.Sociedade Brasileira de Química2018-07-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422018000700825Química Nova v.41 n.7 2018reponame:Química Nova (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.21577/0100-4042.20170231info:eu-repo/semantics/openAccessCunha,Silviopor2018-08-02T00:00:00Zoai:scielo:S0100-40422018000700825Revistahttps://www.scielo.br/j/qn/ONGhttps://old.scielo.br/oai/scielo-oai.phpquimicanova@sbq.org.br1678-70640100-4042opendoar:2018-08-02T00:00Química Nova (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv TOPOLOGIA DOS ORBITAIS MOLECULARES DE POLIENOS PARA DEDUZIR ENERGIAS RELATIVAS E AVALIAR AROMATICIDADE
title TOPOLOGIA DOS ORBITAIS MOLECULARES DE POLIENOS PARA DEDUZIR ENERGIAS RELATIVAS E AVALIAR AROMATICIDADE
spellingShingle TOPOLOGIA DOS ORBITAIS MOLECULARES DE POLIENOS PARA DEDUZIR ENERGIAS RELATIVAS E AVALIAR AROMATICIDADE
Cunha,Silvio
aromaticity
undergraduate organic chemistry teach
orbital topology
title_short TOPOLOGIA DOS ORBITAIS MOLECULARES DE POLIENOS PARA DEDUZIR ENERGIAS RELATIVAS E AVALIAR AROMATICIDADE
title_full TOPOLOGIA DOS ORBITAIS MOLECULARES DE POLIENOS PARA DEDUZIR ENERGIAS RELATIVAS E AVALIAR AROMATICIDADE
title_fullStr TOPOLOGIA DOS ORBITAIS MOLECULARES DE POLIENOS PARA DEDUZIR ENERGIAS RELATIVAS E AVALIAR AROMATICIDADE
title_full_unstemmed TOPOLOGIA DOS ORBITAIS MOLECULARES DE POLIENOS PARA DEDUZIR ENERGIAS RELATIVAS E AVALIAR AROMATICIDADE
title_sort TOPOLOGIA DOS ORBITAIS MOLECULARES DE POLIENOS PARA DEDUZIR ENERGIAS RELATIVAS E AVALIAR AROMATICIDADE
author Cunha,Silvio
author_facet Cunha,Silvio
author_role author
dc.contributor.author.fl_str_mv Cunha,Silvio
dc.subject.por.fl_str_mv aromaticity
undergraduate organic chemistry teach
orbital topology
topic aromaticity
undergraduate organic chemistry teach
orbital topology
description A didactic alternative approach is proposed for deducing the molecular orbital topology of acyclic and cyclic polyenes and then evaluating their bonding, antibonding, and nonbonding character. The relative energies of molecular orbitals of neutral molecules and ions were described, in addition to the orbital degeneracy to cyclic conjugated polyenes, and the method deduce correctly the relative stability of polyenes. This alternative method complements the lack of explanation of a substantial number of organic chemist undergraduate textbooks in relation to orbital degeneracy in benzene and is a pedagogical approach to teach aromaticity and antiaromaticity.
publishDate 2018
dc.date.none.fl_str_mv 2018-07-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422018000700825
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422018000700825
dc.language.iso.fl_str_mv por
language por
dc.relation.none.fl_str_mv 10.21577/0100-4042.20170231
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Química
publisher.none.fl_str_mv Sociedade Brasileira de Química
dc.source.none.fl_str_mv Química Nova v.41 n.7 2018
reponame:Química Nova (Online)
instname:Sociedade Brasileira de Química (SBQ)
instacron:SBQ
instname_str Sociedade Brasileira de Química (SBQ)
instacron_str SBQ
institution SBQ
reponame_str Química Nova (Online)
collection Química Nova (Online)
repository.name.fl_str_mv Química Nova (Online) - Sociedade Brasileira de Química (SBQ)
repository.mail.fl_str_mv quimicanova@sbq.org.br
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