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...
| Authors: | ; ; ; ; ; ; ; |
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| Format: | Article |
| Publication date: | 2015 |
| Country: | España |
| Institution: | Universitat Autònoma de Barcelona |
| Repository: | Dipòsit Digital de Documents de la UAB |
| Language: | English |
| OAI Identifier: | oai:ddd.uab.cat:146250 |
| Online Access: | https://ddd.uab.cat/record/146250 https://dx.doi.org/urn:doi:10.3390/molecules20069862 |
| Access Level: | Open access |
| Keyword: | Anion binding NMR titrations Association constants B3LYP/6-31G(d,p) calculations X-ray structures |
| _version_ | 1878730409369403392 |
|---|---|
| author | Garcia, M. Ángeles |
| 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 |
| author_browse | Claramunt, Rosa M. Elguero, José Farrán, M. Ángeles Garcia, M. Ángeles Jaime, Carlos|||0000-0002-9690-9053 Santa María, Dolores Torralba, M. Carmen Torres, M. Rosario |
| 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 |
| collection | Dipòsit Digital de Documents de la UAB |
| 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. |
| eu_rights_str_mv | openAccess |
| format | article |
| id | ES_1bb5b669bbd322a2e7b6aafcf24a4e6f |
| institution | Universitat Autònoma de Barcelona |
| instname_str | Universitat Autònoma de Barcelona |
| language | eng |
| network_acronym_str | ES |
| network_name_str | España |
| oai_identifier_str | oai:ddd.uab.cat:146250 |
| publishDate | 2015 |
| publishDateSort | 2015 |
| reponame_str | Dipòsit Digital de Documents de la UAB |
| spelling | Pyrrole-Pyridine and Pyrrole-Naphthyridine Hosts for Anion Recognition 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 Anion binding NMR titrations Association constants B3LYP/6-31G(d,p) calculations X-ray structures 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. https://ddd.uab.cat/record/146250 https://dx.doi.org/urn:doi:10.3390/molecules20069862 |
| 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 | 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_short | Pyrrole-Pyridine and Pyrrole-Naphthyridine Hosts for Anion Recognition |
| title_sort | Pyrrole-Pyridine and Pyrrole-Naphthyridine Hosts for Anion Recognition |
| topic | Anion binding NMR titrations Association constants B3LYP/6-31G(d,p) calculations X-ray structures |
| topic_facet | Anion binding NMR titrations Association constants B3LYP/6-31G(d,p) calculations X-ray structures |
| url | https://ddd.uab.cat/record/146250 https://dx.doi.org/urn:doi:10.3390/molecules20069862 |