TOPOLOGIA UNIFICADA DOS ORBITAIS MOLECULARES DE FRONTEIRA PARA EXPLICAR REAÇÕES PERICÍCLICAS
Autor(a) principal: | |
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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=S0100-40422018000600699 |
Resumo: | In this work is proposed a didactic alternative vision to teach pericyclic reactions. To this end, they were classified according to the connectivity of reactants systems, as connected atom reactions (CAR) and the other possibility, as not connected atom reactions (NOCAR). Electrocyclic reactions and sigmatropic rearrangements are examples of CAR categorization, and the cycloadditions being NOCAR. With these two categories, a pedagogical alternative description is proposed to the orbital topology in reactants to explain the pericyclic reactions. According to this classification, the HOMO's topology is adequate to all CAR, while the traditional HOMO-LUMO's topology is adequate to NOCAR. All issues typically deduced by the traditional treatment, such as allowed and forbidden reactions, and stereochemical aspects are also explained by the alternative approach. |
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Química Nova (Online) |
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TOPOLOGIA UNIFICADA DOS ORBITAIS MOLECULARES DE FRONTEIRA PARA EXPLICAR REAÇÕES PERICÍCLICASorbital topologysigmatropic reactionsorganic chemistry teachIn this work is proposed a didactic alternative vision to teach pericyclic reactions. To this end, they were classified according to the connectivity of reactants systems, as connected atom reactions (CAR) and the other possibility, as not connected atom reactions (NOCAR). Electrocyclic reactions and sigmatropic rearrangements are examples of CAR categorization, and the cycloadditions being NOCAR. With these two categories, a pedagogical alternative description is proposed to the orbital topology in reactants to explain the pericyclic reactions. According to this classification, the HOMO's topology is adequate to all CAR, while the traditional HOMO-LUMO's topology is adequate to NOCAR. All issues typically deduced by the traditional treatment, such as allowed and forbidden reactions, and stereochemical aspects are also explained by the alternative approach.Sociedade Brasileira de Química2018-06-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422018000600699Química Nova v.41 n.6 2018reponame:Química Nova (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.21577/0100-4042.20170197info:eu-repo/semantics/openAccessCunha,Silviopor2018-07-05T00:00:00Zoai:scielo:S0100-40422018000600699Revistahttps://www.scielo.br/j/qn/ONGhttps://old.scielo.br/oai/scielo-oai.phpquimicanova@sbq.org.br1678-70640100-4042opendoar:2018-07-05T00:00Química Nova (Online) - Sociedade Brasileira de Química (SBQ)false |
dc.title.none.fl_str_mv |
TOPOLOGIA UNIFICADA DOS ORBITAIS MOLECULARES DE FRONTEIRA PARA EXPLICAR REAÇÕES PERICÍCLICAS |
title |
TOPOLOGIA UNIFICADA DOS ORBITAIS MOLECULARES DE FRONTEIRA PARA EXPLICAR REAÇÕES PERICÍCLICAS |
spellingShingle |
TOPOLOGIA UNIFICADA DOS ORBITAIS MOLECULARES DE FRONTEIRA PARA EXPLICAR REAÇÕES PERICÍCLICAS Cunha,Silvio orbital topology sigmatropic reactions organic chemistry teach |
title_short |
TOPOLOGIA UNIFICADA DOS ORBITAIS MOLECULARES DE FRONTEIRA PARA EXPLICAR REAÇÕES PERICÍCLICAS |
title_full |
TOPOLOGIA UNIFICADA DOS ORBITAIS MOLECULARES DE FRONTEIRA PARA EXPLICAR REAÇÕES PERICÍCLICAS |
title_fullStr |
TOPOLOGIA UNIFICADA DOS ORBITAIS MOLECULARES DE FRONTEIRA PARA EXPLICAR REAÇÕES PERICÍCLICAS |
title_full_unstemmed |
TOPOLOGIA UNIFICADA DOS ORBITAIS MOLECULARES DE FRONTEIRA PARA EXPLICAR REAÇÕES PERICÍCLICAS |
title_sort |
TOPOLOGIA UNIFICADA DOS ORBITAIS MOLECULARES DE FRONTEIRA PARA EXPLICAR REAÇÕES PERICÍCLICAS |
author |
Cunha,Silvio |
author_facet |
Cunha,Silvio |
author_role |
author |
dc.contributor.author.fl_str_mv |
Cunha,Silvio |
dc.subject.por.fl_str_mv |
orbital topology sigmatropic reactions organic chemistry teach |
topic |
orbital topology sigmatropic reactions organic chemistry teach |
description |
In this work is proposed a didactic alternative vision to teach pericyclic reactions. To this end, they were classified according to the connectivity of reactants systems, as connected atom reactions (CAR) and the other possibility, as not connected atom reactions (NOCAR). Electrocyclic reactions and sigmatropic rearrangements are examples of CAR categorization, and the cycloadditions being NOCAR. With these two categories, a pedagogical alternative description is proposed to the orbital topology in reactants to explain the pericyclic reactions. According to this classification, the HOMO's topology is adequate to all CAR, while the traditional HOMO-LUMO's topology is adequate to NOCAR. All issues typically deduced by the traditional treatment, such as allowed and forbidden reactions, and stereochemical aspects are also explained by the alternative approach. |
publishDate |
2018 |
dc.date.none.fl_str_mv |
2018-06-01 |
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=S0100-40422018000600699 |
url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422018000600699 |
dc.language.iso.fl_str_mv |
por |
language |
por |
dc.relation.none.fl_str_mv |
10.21577/0100-4042.20170197 |
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.6 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 |
_version_ |
1750318119177420800 |