Cage π-bond: A New Non-Covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications

El títol de la versió preprint no coincideix amb el de la versió publicada: 'Nido-cage⋅⋅⋅π Bond: A New Non-Covalent Interaction'

Detalles Bibliográficos
Autores: Tu, Deshuang, Yan, Hong, Poater i Teixidor, Jordi, Solà i Puig, Miquel
Tipo de recurso: artículo
Estado:Versión enviada para evaluación y publicación
Fecha de publicación:2020
País:España
Institución:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:10256/18124
Acceso en línea:http://hdl.handle.net/10256/18124
Access Level:acceso abierto
Palabra clave:Enllaços químics
Chemical bonds
Química quàntica
Quantum chemistry
Bor
Boron
Aromaticitat (Química)
Aromaticity (Chemistry)
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spelling Cage π-bond: A New Non-Covalent Interaction between Boron Clusters and Aromatic Rings and Its ApplicationsNido-cage...π-bond: A New Non-Covalent InteractionTu, DeshuangYan, HongPoater i Teixidor, JordiSolà i Puig, MiquelEnllaços químicsChemical bondsQuímica quànticaQuantum chemistryBorBoronAromaticitat (Química)Aromaticity (Chemistry)El títol de la versió preprint no coincideix amb el de la versió publicada: 'Nido-cage⋅⋅⋅π Bond: A New Non-Covalent Interaction'Versió de l'article no avaluada o revisada per expertsExploration and comprehension of new chemical bonding is one of the central tasks in chemistry. To date, non-covalent interac-tions based on sigma- and π-bonding molecules such as hydrogen bonds and π···π interactions have been extensively investigated. However, the research on chemical bonding involving multicenter multielectron skeletons like boron clusters is much less report-ed. Here, a new type of non-covalent interaction, nido-cage···π bond, is discovered based on the boron cluster C2B9H12- and an aromatic π system. The X-ray diffraction studies indicate that the nido-cage···π bonding presents the same parallel-displaced or T-shaped geometries as a π···π interaction does. The contacting distance between the cage and the pi ring varies with the type and the substituent of the aromatic ring. The quantum chemical calculations reveal that this nido-cage···π non-covalent interaction shares a similar nature to the conventional anion···π or π···π bond found in classical aromatic ring systems. Besides, effective electronic communication between the boron cluster and the π unit is observed through the nido-cage···π interaction, which leads to unique photophysical properties such as both aggregation-induced emission in the amorphous state and aggregation-caused quenching in the crystalline state in one molecule. This demonstrates distinct emission behaviors from the conventional organic luminogens. The present work not only offers an overall understanding on this new non-covalent interaction, but also opens a door to investigate its properties and further applicationsThis work has been supported by the Ministerio de Economía yCompetitividad (MINECO) of Spain (Projects CTQ2017-85341-P,CTQ2016-77558-R, and MDM-2017-0767) and the Generalitat de Catalunya (projects 2017SGR39 and 2017SGR348, and ICREA Academia 2014 prize for M.S.)WileyAgencia Estatal de Investigacióninfo2020info:eu-repo/semantics/articleinfo:eu-repo/semantics/submittedVersion8 p.application/pdfhttp://hdl.handle.net/10256/18124© Angewandte Chemie International Edition, 2020, vol. 59, núm. 23, p. 9018-9025Articles publicats (D-Q)Tu, Deshuang Yan, Hong Poater i Teixidor, Jordi Solà i Puig, Miquel 2020 Cage π-bond: A New Non-Covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications Angewandte Chemie International Edition 59 23 9018 9025reponame:Recercat. Dipósit de la Recerca de Catalunyainstname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)Inglésinfo:eu-repo/semantics/altIdentifier/doi/10.1002/anie.201915290info:eu-repo/semantics/altIdentifier/issn/1433-7851info:eu-repo/semantics/altIdentifier/eissn/1521-3773info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2017-85341-PInChttps://rightsstatements.org/vocab/InC/1.0/info:eu-repo/semantics/openAccessoai:recercat.cat:10256/181242026-05-29T05:05:01Z
dc.title.none.fl_str_mv Cage π-bond: A New Non-Covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications
Nido-cage...π-bond: A New Non-Covalent Interaction
title Cage π-bond: A New Non-Covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications
spellingShingle Cage π-bond: A New Non-Covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications
Tu, Deshuang
Enllaços químics
Chemical bonds
Química quàntica
Quantum chemistry
Bor
Boron
Aromaticitat (Química)
Aromaticity (Chemistry)
title_short Cage π-bond: A New Non-Covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications
title_full Cage π-bond: A New Non-Covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications
title_fullStr Cage π-bond: A New Non-Covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications
title_full_unstemmed Cage π-bond: A New Non-Covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications
title_sort Cage π-bond: A New Non-Covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications
dc.creator.none.fl_str_mv Tu, Deshuang
Yan, Hong
Poater i Teixidor, Jordi
Solà i Puig, Miquel
author Tu, Deshuang
author_facet Tu, Deshuang
Yan, Hong
Poater i Teixidor, Jordi
Solà i Puig, Miquel
author_role author
author2 Yan, Hong
Poater i Teixidor, Jordi
Solà i Puig, Miquel
author2_role author
author
author
dc.contributor.none.fl_str_mv Agencia Estatal de Investigación
dc.subject.none.fl_str_mv Enllaços químics
Chemical bonds
Química quàntica
Quantum chemistry
Bor
Boron
Aromaticitat (Química)
Aromaticity (Chemistry)
topic Enllaços químics
Chemical bonds
Química quàntica
Quantum chemistry
Bor
Boron
Aromaticitat (Química)
Aromaticity (Chemistry)
description El títol de la versió preprint no coincideix amb el de la versió publicada: 'Nido-cage⋅⋅⋅π Bond: A New Non-Covalent Interaction'
publishDate 2020
dc.date.none.fl_str_mv 2020
info
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/submittedVersion
format article
status_str submittedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10256/18124
url http://hdl.handle.net/10256/18124
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1002/anie.201915290
info:eu-repo/semantics/altIdentifier/issn/1433-7851
info:eu-repo/semantics/altIdentifier/eissn/1521-3773
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2017-85341-P
dc.rights.none.fl_str_mv InC
https://rightsstatements.org/vocab/InC/1.0/
info:eu-repo/semantics/openAccess
rights_invalid_str_mv InC
https://rightsstatements.org/vocab/InC/1.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 8 p.
application/pdf
dc.publisher.none.fl_str_mv Wiley
publisher.none.fl_str_mv Wiley
dc.source.none.fl_str_mv © Angewandte Chemie International Edition, 2020, vol. 59, núm. 23, p. 9018-9025
Articles publicats (D-Q)
Tu, Deshuang Yan, Hong Poater i Teixidor, Jordi Solà i Puig, Miquel 2020 Cage π-bond: A New Non-Covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications Angewandte Chemie International Edition 59 23 9018 9025
reponame:Recercat. Dipósit de la Recerca de Catalunya
instname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
instname_str Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
reponame_str Recercat. Dipósit de la Recerca de Catalunya
collection Recercat. Dipósit de la Recerca de Catalunya
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,81155

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