Pyrrole-Pyridine and Pyrrole-Naphthyridine Hosts for  Anion Recognition

descriptionPublicationkeyboard_double_arrow_right Article , Other literature type 27 May 2015 Spain English Publisher:MDPI AGJournal:Molecules, volume 20, pages 9,862-9,878 (eissn: 1420-3049,

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Authors: M. García; M. Farrán; Dolores María; Rosa Claramunt; M. Torralba; M. Torres; Carlos Jaime; +1 Authors

doi: 10.3390/molecules20069862

pmid: 26023943

pmc: PMC6272551

handle: 10261/126175 , 20.500.14352/23875

Pyrrole-Pyridine and Pyrrole-Naphthyridine Hosts for Anion Recognition

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Abstract

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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Keywords

Anion binding, Anions, Models, Molecular, Magnetic Resonance Spectroscopy, Pyridines, Organic chemistry, Association constants, association constants, Crystallography, X-Ray, Article, anion binding, B3LYP/6-31G(d,p) calculations, QD241-441, Química inorgánica (Química), Pyrroles, Naphthyridines, Molecular Structure, NMR titrations, Amides, p) calculations, Química inorgánica, Kinetics, Quantum Theory, Thermodynamics, B3LYP/6-31G(d, 2303 Química Inorgánica, X-ray structures

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