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...
| Autores: | ; ; ; ; ; ; ; |
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| Tipo de documento: | Artigo |
| Data de publicação: | 2015 |
| País: | España |
| Recursos: | Universitat Autònoma de Barcelona |
| Repositório: | Dipòsit Digital de Documents de la UAB |
| Idioma: | Inglês |
| 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 |
| Nível de acesso: | Acesso aberto |
| Palavra-chave: | Anion binding NMR titrations Association constants B3LYP/6-31G(d,p) calculations X-ray structures |
| Resumo: | 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. |
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