New Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicity

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It evaluated the behavior of the Re3(μ-Cl)3Cl6 cluster under magnetic perturbation, and it clearly shows that the magnetic response within the Re3(μ-Cl)3 plane is highly diatropic in nature. An analysis of both the magnetically induced current density (MICD) and induced magnetic field (Bind) allows...

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Detalles Bibliográficos
Autores: Vasquez-Espinal, A, Pino-Rios, R, Alvarez-Thon, L, Rabana-Leon, WA, Torres-Vega, JJ, Arratia-Perez, R, Tiznado, W
Formato: artículo
Fecha de Publicación:2015
Institución:Consejo Nacional de Ciencia Tecnología e Innovación
Repositorio:CONCYTEC-Institucional
Lenguaje:inglés
OAI Identifier:oai:repositorio.concytec.gob.pe:20.500.12390/1115
Enlace del recurso:https://hdl.handle.net/20.500.12390/1115
https://doi.org/10.1021/acs.jpclett.5b01816
Nivel de acceso:acceso abierto
Materia:Química física
Física
https://purl.org/pe-repo/ocde/ford#1.04.03
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oai_identifier_str oai:repositorio.concytec.gob.pe:20.500.12390/1115
network_acronym_str CONC
network_name_str CONCYTEC-Institucional
repository_id_str 4689
dc.title.none.fl_str_mv New Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicity
title New Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicity
spellingShingle New Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicity
Vasquez-Espinal, A
Química física
Física
https://purl.org/pe-repo/ocde/ford#1.04.03
title_short New Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicity
title_full New Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicity
title_fullStr New Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicity
title_full_unstemmed New Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicity
title_sort New Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicity
author Vasquez-Espinal, A
author_facet Vasquez-Espinal, A
Pino-Rios, R
Alvarez-Thon, L
Rabana-Leon, WA
Torres-Vega, JJ
Arratia-Perez, R
Tiznado, W
author_role author
author2 Pino-Rios, R
Alvarez-Thon, L
Rabana-Leon, WA
Torres-Vega, JJ
Arratia-Perez, R
Tiznado, W
author2_role author
author
author
author
author
author
dc.contributor.author.fl_str_mv Vasquez-Espinal, A
Pino-Rios, R
Alvarez-Thon, L
Rabana-Leon, WA
Torres-Vega, JJ
Arratia-Perez, R
Tiznado, W
dc.subject.none.fl_str_mv Química física
topic Química física
Física
https://purl.org/pe-repo/ocde/ford#1.04.03
dc.subject.es_PE.fl_str_mv Física
dc.subject.ocde.none.fl_str_mv https://purl.org/pe-repo/ocde/ford#1.04.03
description It evaluated the behavior of the Re3(μ-Cl)3Cl6 cluster under magnetic perturbation, and it clearly shows that the magnetic response within the Re3(μ-Cl)3 plane is highly diatropic in nature. An analysis of both the magnetically induced current density (MICD) and induced magnetic field (Bind) allows us to classify this cluster as doubly σ- and also π-aromatic on the magnetic criterion. These findings contradict the classical Re–Re double bond representation and favor a chemical bonding pattern that involves delocalized bonds.
publishDate 2015
dc.date.accessioned.none.fl_str_mv 2024-05-30T23:13:38Z
dc.date.available.none.fl_str_mv 2024-05-30T23:13:38Z
dc.date.issued.fl_str_mv 2015
dc.type.none.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.uri.none.fl_str_mv https://hdl.handle.net/20.500.12390/1115
dc.identifier.doi.none.fl_str_mv https://doi.org/10.1021/acs.jpclett.5b01816
dc.identifier.isi.none.fl_str_mv 364435800007
url https://hdl.handle.net/20.500.12390/1115
https://doi.org/10.1021/acs.jpclett.5b01816
identifier_str_mv 364435800007
dc.language.iso.none.fl_str_mv eng
language eng
dc.relation.ispartof.none.fl_str_mv Journal of Physical Chemistry Letters
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:CONCYTEC-Institucional
instname:Consejo Nacional de Ciencia Tecnología e Innovación
instacron:CONCYTEC
instname_str Consejo Nacional de Ciencia Tecnología e Innovación
instacron_str CONCYTEC
institution CONCYTEC
reponame_str CONCYTEC-Institucional
collection CONCYTEC-Institucional
repository.name.fl_str_mv Repositorio Institucional CONCYTEC
repository.mail.fl_str_mv repositorio@concytec.gob.pe
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spelling Publicationrp02910500rp03143600rp02911500rp03144600rp01498500rp03142600rp02736500Vasquez-Espinal, APino-Rios, RAlvarez-Thon, LRabana-Leon, WATorres-Vega, JJArratia-Perez, RTiznado, W2024-05-30T23:13:38Z2024-05-30T23:13:38Z2015https://hdl.handle.net/20.500.12390/1115https://doi.org/10.1021/acs.jpclett.5b01816364435800007It evaluated the behavior of the Re3(μ-Cl)3Cl6 cluster under magnetic perturbation, and it clearly shows that the magnetic response within the Re3(μ-Cl)3 plane is highly diatropic in nature. An analysis of both the magnetically induced current density (MICD) and induced magnetic field (Bind) allows us to classify this cluster as doubly σ- and also π-aromatic on the magnetic criterion. These findings contradict the classical Re–Re double bond representation and favor a chemical bonding pattern that involves delocalized bonds.Consejo Nacional de Ciencia, Tecnología e Innovación Tecnológica - ConcytecengAmerican Chemical SocietyJournal of Physical Chemistry Lettersinfo:eu-repo/semantics/openAccessQuímica físicaFísica-1https://purl.org/pe-repo/ocde/ford#1.04.03-1New Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicityinfo:eu-repo/semantics/articlereponame:CONCYTEC-Institucionalinstname:Consejo Nacional de Ciencia Tecnología e Innovacióninstacron:CONCYTEC20.500.12390/1115oai:repositorio.concytec.gob.pe:20.500.12390/11152024-05-30 16:01:16.672http://purl.org/coar/access_right/c_14cbinfo:eu-repo/semantics/closedAccessmetadata only accesshttps://repositorio.concytec.gob.peRepositorio Institucional CONCYTECrepositorio@concytec.gob.pe#PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE#<Publication xmlns="https://www.openaire.eu/cerif-profile/1.1/" id="19d5fcb5-f247-4884-b307-b3c18313a378"> <Type xmlns="https://www.openaire.eu/cerif-profile/vocab/COAR_Publication_Types">http://purl.org/coar/resource_type/c_1843</Type> <Language>eng</Language> <Title>New Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicity</Title> <PublishedIn> <Publication> <Title>Journal of Physical Chemistry Letters</Title> </Publication> </PublishedIn> <PublicationDate>2015</PublicationDate> <DOI>https://doi.org/10.1021/acs.jpclett.5b01816</DOI> <ISI-Number>364435800007</ISI-Number> <Authors> <Author> <DisplayName>Vasquez-Espinal, A</DisplayName> <Person id="rp02910" /> <Affiliation> <OrgUnit> </OrgUnit> </Affiliation> </Author> <Author> <DisplayName>Pino-Rios, R</DisplayName> <Person id="rp03143" /> <Affiliation> <OrgUnit> </OrgUnit> </Affiliation> </Author> <Author> <DisplayName>Alvarez-Thon, L</DisplayName> <Person id="rp02911" /> <Affiliation> <OrgUnit> </OrgUnit> </Affiliation> </Author> <Author> <DisplayName>Rabana-Leon, WA</DisplayName> <Person id="rp03144" /> <Affiliation> <OrgUnit> </OrgUnit> </Affiliation> </Author> <Author> <DisplayName>Torres-Vega, JJ</DisplayName> <Person id="rp01498" /> <Affiliation> <OrgUnit> </OrgUnit> </Affiliation> </Author> <Author> <DisplayName>Arratia-Perez, R</DisplayName> <Person id="rp03142" /> <Affiliation> <OrgUnit> </OrgUnit> </Affiliation> </Author> <Author> <DisplayName>Tiznado, W</DisplayName> <Person id="rp02736" /> <Affiliation> <OrgUnit> </OrgUnit> </Affiliation> </Author> </Authors> <Editors> </Editors> <Publishers> <Publisher> <DisplayName>American Chemical Society</DisplayName> <OrgUnit /> </Publisher> </Publishers> <Keyword>Química física</Keyword> <Keyword>Física</Keyword> <Abstract>It evaluated the behavior of the Re3(μ-Cl)3Cl6 cluster under magnetic perturbation, and it clearly shows that the magnetic response within the Re3(μ-Cl)3 plane is highly diatropic in nature. An analysis of both the magnetically induced current density (MICD) and induced magnetic field (Bind) allows us to classify this cluster as doubly σ- and also π-aromatic on the magnetic criterion. These findings contradict the classical Re–Re double bond representation and favor a chemical bonding pattern that involves delocalized bonds.</Abstract> <Access xmlns="http://purl.org/coar/access_right" > </Access> </Publication> -1
score 13.441383
New Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicity
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