García, María ÁngelesFarrán, María ÁngelesSanta María, DoloresClaramunt, Rosa M.Torralba Martínez, María Del CarmenTorres, María del RosarioJaime, CarlosElguero, José2023-06-182023-06-182015-05-271420-304910.3390/molecules20069862https://hdl.handle.net/20.500.14352/23875The 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.engAtribución 3.0 Españahttps://creativecommons.org/licenses/by/3.0/es/journal articlehttps://doi.org/10.3390/molecules20069862https://www.mdpi.com/1420-3049/20/6/9862open accessanion bindingNMR titrationsassociation constantsB3LYP/6-31G(dp) calculationsX-ray structuresQuímica inorgánica (Química)2303 Química Inorgánica