Pyrrole-pyridine and pyrrole-naphthyridine hosts for anion recognition

The association constants of the complexes formed by two hosts containing pyrrole, amide and azine (pyridine and 1,8-naphthyridine) groups and six guests, all monoanions (Cl<sup>-</sup>, CH3CO2<sup>-</sup>, NO3<sup>-</sup>, H2PO4<sup>-</sup>, BF4<su...

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Detalhes bibliográficos
Autores: García, M. A., Farrán, M. Ángeles, Santa María, Dolores, Claramunt, Rosa M., Torralba, M. Carmen, Torres, M. Rosario, Jaime, Carlos, Elguero, José
Tipo de documento: artigo
Estado:Versão publicada
Data de publicação:2015
País:España
Recursos:Consejo Superior de Investigaciones Científicas (CSIC)
Repositório:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/126175
Acesso em linha:http://hdl.handle.net/10261/126175
Access Level:Acceso aberto
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spelling Pyrrole-pyridine and pyrrole-naphthyridine hosts for anion recognitionGarcía, M. A.Farrán, M. ÁngelesSanta María, DoloresClaramunt, Rosa M.Torralba, M. CarmenTorres, M. RosarioJaime, CarlosElguero, JoséThe association constants of the complexes formed by two hosts containing pyrrole, amide and azine (pyridine and 1,8-naphthyridine) groups and six guests, all monoanions (Cl<sup>-</sup>, CH3CO2<sup>-</sup>, NO3<sup>-</sup>, H2PO4<sup>-</sup>, BF4<sup>-</sup>, PF6<sup>-</sup>), have been determined using NMR titrations. The X-ray crystal structure of the host N<sup>2</sup>,N<sup>5</sup>-bis(6-methylpyridin-2-yl)-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide (1) has been solved (P21/c monoclinic space group). B3LYP/6-31G(d,p) and calculations were carried out in an attempt to rationalize the trends observed in the experimental association constants.We gratefully acknowledge the financial support of the Ministerio de Ciencia e Innovación (CTQ2010-16122) and Ministerio de Economía y Competitividad (CTQ2014-56833-R and CTQ2012-35513-C02-02) of Spain as well as that of the Comunidad Autónoma de Madrid (Project FOTOCARBON, ref S2013/MIT-2841). We acknowledge support by the CSIC Open Access Publication Initiative through its Unit of Information Resources for Research (URICI).Peer ReviewedMultidisciplinary Digital Publishing InstituteMinisterio de Economía y Competitividad (España)Comunidad de MadridMinisterio de Ciencia e Innovación (España)Consejo Superior de Investigaciones Científicas (España)Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]20152015info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/126175reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Ingléshttp://dx.doi.org/10.3390/molecules20069862Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/1261752026-05-22T06:33:51Z
dc.title.none.fl_str_mv Pyrrole-pyridine and pyrrole-naphthyridine hosts for anion recognition
title Pyrrole-pyridine and pyrrole-naphthyridine hosts for anion recognition
spellingShingle Pyrrole-pyridine and pyrrole-naphthyridine hosts for anion recognition
García, M. A.
title_short Pyrrole-pyridine and pyrrole-naphthyridine hosts for anion recognition
title_full Pyrrole-pyridine and pyrrole-naphthyridine hosts for anion recognition
title_fullStr Pyrrole-pyridine and pyrrole-naphthyridine hosts for anion recognition
title_full_unstemmed Pyrrole-pyridine and pyrrole-naphthyridine hosts for anion recognition
title_sort Pyrrole-pyridine and pyrrole-naphthyridine hosts for anion recognition
dc.creator.none.fl_str_mv García, M. A.
Farrán, M. Ángeles
Santa María, Dolores
Claramunt, Rosa M.
Torralba, M. Carmen
Torres, M. Rosario
Jaime, Carlos
Elguero, José
author García, M. A.
author_facet García, M. A.
Farrán, M. Ángeles
Santa María, Dolores
Claramunt, Rosa M.
Torralba, M. Carmen
Torres, M. Rosario
Jaime, Carlos
Elguero, José
author_role author
author2 Farrán, M. Ángeles
Santa María, Dolores
Claramunt, Rosa M.
Torralba, M. Carmen
Torres, M. Rosario
Jaime, Carlos
Elguero, José
author2_role author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Ministerio de Economía y Competitividad (España)
Comunidad de Madrid
Ministerio de Ciencia e Innovación (España)
Consejo Superior de Investigaciones Científicas (España)
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
description The association constants of the complexes formed by two hosts containing pyrrole, amide and azine (pyridine and 1,8-naphthyridine) groups and six guests, all monoanions (Cl<sup>-</sup>, CH3CO2<sup>-</sup>, NO3<sup>-</sup>, H2PO4<sup>-</sup>, BF4<sup>-</sup>, PF6<sup>-</sup>), have been determined using NMR titrations. The X-ray crystal structure of the host N<sup>2</sup>,N<sup>5</sup>-bis(6-methylpyridin-2-yl)-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide (1) has been solved (P21/c monoclinic space group). B3LYP/6-31G(d,p) and calculations were carried out in an attempt to rationalize the trends observed in the experimental association constants.
publishDate 2015
dc.date.none.fl_str_mv 2015
2015
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/126175
url http://hdl.handle.net/10261/126175
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv http://dx.doi.org/10.3390/molecules20069862
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Multidisciplinary Digital Publishing Institute
publisher.none.fl_str_mv Multidisciplinary Digital Publishing Institute
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,812429

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