Hückel and Möbius annulenes: relationships between their Hückel-level orbitals and their Hückel-level energies

Detalhes bibliográficos
Autor(a) principal: Langler,Richard Francis
Data de Publicação: 2000
Outros Autores: Salgado,Guillermo, Mendizabal,Carlos
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Química Nova (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422000000600020
Resumo: The problem of convenient access to quantitative Hückel-level descriptions of Möbius and Hückel annulenes for undergraduate lectures about aromaticity is discussed. Frost circle, Zimmerman circle, double circle and Langler semicircular mnemonics are described. The relationship between spectra (complete sets of secular equation roots) for an isoconjugate pair of Hückel and Möbius annulenes and the corresponding acyclic polyene with one less carbon is fully developed. In addition to providing an alternative path to exact spectrum roots, this relationship provides immediate access to almost half of the eigenfunctions for an isoconjugate annulene pair. The remaining eigenfunctions may be obtained very easily.
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spelling Hückel and Möbius annulenes: relationships between their Hückel-level orbitals and their Hückel-level energiesaromaticitycircle mnemonicsHückel theoryThe problem of convenient access to quantitative Hückel-level descriptions of Möbius and Hückel annulenes for undergraduate lectures about aromaticity is discussed. Frost circle, Zimmerman circle, double circle and Langler semicircular mnemonics are described. The relationship between spectra (complete sets of secular equation roots) for an isoconjugate pair of Hückel and Möbius annulenes and the corresponding acyclic polyene with one less carbon is fully developed. In addition to providing an alternative path to exact spectrum roots, this relationship provides immediate access to almost half of the eigenfunctions for an isoconjugate annulene pair. The remaining eigenfunctions may be obtained very easily.Sociedade Brasileira de Química2000-12-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422000000600020Química Nova v.23 n.6 2000reponame:Química Nova (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.1590/S0100-40422000000600020info:eu-repo/semantics/openAccessLangler,Richard FrancisSalgado,GuillermoMendizabal,Carloseng2001-01-18T00:00:00Zoai:scielo:S0100-40422000000600020Revistahttps://www.scielo.br/j/qn/ONGhttps://old.scielo.br/oai/scielo-oai.phpquimicanova@sbq.org.br1678-70640100-4042opendoar:2001-01-18T00:00Química Nova (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv Hückel and Möbius annulenes: relationships between their Hückel-level orbitals and their Hückel-level energies
title Hückel and Möbius annulenes: relationships between their Hückel-level orbitals and their Hückel-level energies
spellingShingle Hückel and Möbius annulenes: relationships between their Hückel-level orbitals and their Hückel-level energies
Langler,Richard Francis
aromaticity
circle mnemonics
Hückel theory
title_short Hückel and Möbius annulenes: relationships between their Hückel-level orbitals and their Hückel-level energies
title_full Hückel and Möbius annulenes: relationships between their Hückel-level orbitals and their Hückel-level energies
title_fullStr Hückel and Möbius annulenes: relationships between their Hückel-level orbitals and their Hückel-level energies
title_full_unstemmed Hückel and Möbius annulenes: relationships between their Hückel-level orbitals and their Hückel-level energies
title_sort Hückel and Möbius annulenes: relationships between their Hückel-level orbitals and their Hückel-level energies
author Langler,Richard Francis
author_facet Langler,Richard Francis
Salgado,Guillermo
Mendizabal,Carlos
author_role author
author2 Salgado,Guillermo
Mendizabal,Carlos
author2_role author
author
dc.contributor.author.fl_str_mv Langler,Richard Francis
Salgado,Guillermo
Mendizabal,Carlos
dc.subject.por.fl_str_mv aromaticity
circle mnemonics
Hückel theory
topic aromaticity
circle mnemonics
Hückel theory
description The problem of convenient access to quantitative Hückel-level descriptions of Möbius and Hückel annulenes for undergraduate lectures about aromaticity is discussed. Frost circle, Zimmerman circle, double circle and Langler semicircular mnemonics are described. The relationship between spectra (complete sets of secular equation roots) for an isoconjugate pair of Hückel and Möbius annulenes and the corresponding acyclic polyene with one less carbon is fully developed. In addition to providing an alternative path to exact spectrum roots, this relationship provides immediate access to almost half of the eigenfunctions for an isoconjugate annulene pair. The remaining eigenfunctions may be obtained very easily.
publishDate 2000
dc.date.none.fl_str_mv 2000-12-01
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=S0100-40422000000600020
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422000000600020
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/S0100-40422000000600020
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.23 n.6 2000
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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