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Pyrrole-pyridine and pyrrole-naphthyridine hosts for anion recognition.

Molecules (Basel, Switzerland) (2015-05-30)
M Angeles García, M Angeles Farrán, Dolores Santa María, Rosa M Claramunt, M Carmen Torralba, M Rosario Torres, Carlos Jaime, José Elguero
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.

MATERIALS
Product Number
Brand
Product Description

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