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...
| Autores: | , , , , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2015 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/126175 |
| Acceso en línea: | http://hdl.handle.net/10261/126175 |
| Access Level: | acceso abierto |
| Sumario: | 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. |
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