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Open AccessArticle

Pyrrole-Pyridine and Pyrrole-Naphthyridine Hosts for Anion Recognition

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Departamento de Química Orgánica y Bio-Orgánica, Facultad de Ciencias, UNED, Paseo Senda del Rey 9, 28040-Madrid, Spain
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Departamento de Química Inorgánica I and CAI de Difracción de Rayos-X, Facultad de Ciencias Químicas, UCM, 28040-Madrid, Spain
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Department de Química, Universitat Autònoma de Barcelona, 08193-Cerdanyola del Vallès, Spain
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Instituto de Química Médica, Centro de Química Orgánica Manuel Lora-Tamayo, CSIC, Juan de la Cierva 3, 28006-Madrid, Spain
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Author to whom correspondence should be addressed.
Academic Editor: Stefan Boiadjiev
Molecules 2015, 20(6), 9862-9878; https://doi.org/10.3390/molecules20069862
Received: 14 April 2015 / Revised: 21 May 2015 / Accepted: 22 May 2015 / Published: 27 May 2015
(This article belongs to the Special Issue Molecular 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-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. View Full-Text
Keywords: anion binding; NMR titrations; association constants; B3LYP/6-31G(d,p) calculations; X-ray structures anion binding; NMR titrations; association constants; B3LYP/6-31G(d,p) calculations; X-ray structures
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García, M.A.; Farrán, M.A.; María, D.S.; Claramunt, R.M.; Torralba, M.C.; Torres, M.R.; Jaime, C.; Elguero, J. Pyrrole-Pyridine and Pyrrole-Naphthyridine Hosts for Anion Recognition. Molecules 2015, 20, 9862-9878.

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