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-, CH3CO2-, NO3-, H2PO4-, BF4-, PF6-), have been determined using NMR titrations. The X-ray crystal structure of the host N2,N5...

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Autores: Garcia, M. Ángeles, Farrán, M. Ángeles, Santa María, Dolores, Claramunt, Rosa M., Torralba, M. Carmen, Torres, M. Rosario, Jaime, Carlos|||0000-0002-9690-9053, Elguero, José
Formato: artículo
Fecha de publicación:2015
País:España
Recursos:Universitat Autònoma de Barcelona
Repositorio:Dipòsit Digital de Documents de la UAB
Idioma:inglés
OAI Identifier:oai:ddd.uab.cat:146250
Acesso em linha:https://ddd.uab.cat/record/146250
https://dx.doi.org/urn:doi:10.3390/molecules20069862
Access Level:acceso abierto
Palavra-chave:Anion binding
NMR titrations
Association constants
B3LYP/6-31G(d,p) calculations
X-ray structures
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spelling Pyrrole-Pyridine and Pyrrole-Naphthyridine Hosts for Anion RecognitionGarcia, M. ÁngelesFarrán, M. ÁngelesSanta María, DoloresClaramunt, Rosa M.Torralba, M. CarmenTorres, M. RosarioJaime, Carlos|||0000-0002-9690-9053Elguero, JoséAnion bindingNMR titrationsAssociation constantsB3LYP/6-31G(d,p) calculationsX-ray structuresThe 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-, CH3CO2-, NO3-, H2PO4-, BF4-, PF6-), have been determined using NMR titrations. The X-ray crystal structure of the host N2,N5-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. 22015-01-0120152015-01-01Articlehttp://purl.org/coar/resource_type/c_6501VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttps://ddd.uab.cat/record/146250https://dx.doi.org/urn:doi:10.3390/molecules20069862reponame:Dipòsit Digital de Documents de la UABinstname:Universitat Autònoma de BarcelonaInglésengopen accesshttp://purl.org/coar/access_right/c_abf2Aquesta url de drets no existeix a la base de dades.https://creativecommons.org/licenses/by/3.0/info:eu-repo/semantics/openAccessoai:ddd.uab.cat:1462502026-06-06T12:50:31Z
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
Garcia, M. Ángeles
Anion binding
NMR titrations
Association constants
B3LYP/6-31G(d,p) calculations
X-ray structures
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 Garcia, M. Ángeles
Farrán, M. Ángeles
Santa María, Dolores
Claramunt, Rosa M.
Torralba, M. Carmen
Torres, M. Rosario
Jaime, Carlos|||0000-0002-9690-9053
Elguero, José
author Garcia, M. Ángeles
author_facet Garcia, M. Ángeles
Farrán, M. Ángeles
Santa María, Dolores
Claramunt, Rosa M.
Torralba, M. Carmen
Torres, M. Rosario
Jaime, Carlos|||0000-0002-9690-9053
Elguero, José
author_role author
author2 Farrán, M. Ángeles
Santa María, Dolores
Claramunt, Rosa M.
Torralba, M. Carmen
Torres, M. Rosario
Jaime, Carlos|||0000-0002-9690-9053
Elguero, José
author2_role author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Anion binding
NMR titrations
Association constants
B3LYP/6-31G(d,p) calculations
X-ray structures
topic Anion binding
NMR titrations
Association constants
B3LYP/6-31G(d,p) calculations
X-ray structures
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-, CH3CO2-, NO3-, H2PO4-, BF4-, PF6-), have been determined using NMR titrations. The X-ray crystal structure of the host N2,N5-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 2
2015-01-01
2015
2015-01-01
dc.type.none.fl_str_mv Article
http://purl.org/coar/resource_type/c_6501
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://ddd.uab.cat/record/146250
https://dx.doi.org/urn:doi:10.3390/molecules20069862
url https://ddd.uab.cat/record/146250
https://dx.doi.org/urn:doi:10.3390/molecules20069862
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
Aquesta url de drets no existeix a la base de dades.
https://creativecommons.org/licenses/by/3.0/
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
Aquesta url de drets no existeix a la base de dades.
https://creativecommons.org/licenses/by/3.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv reponame:Dipòsit Digital de Documents de la UAB
instname:Universitat Autònoma de Barcelona
instname_str Universitat Autònoma de Barcelona
reponame_str Dipòsit Digital de Documents de la UAB
collection Dipòsit Digital de Documents de la UAB
repository.name.fl_str_mv
repository.mail.fl_str_mv
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