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García, María Ángeles and Farrán, María Ángeles and Santa María, Dolores and Claramunt, Rosa M. and Torralba Martínez, María del Carmen and Torres, María del Rosario and Jaime, Carlos and Elguero, José (2015) Pyrrole-Pyridine and Pyrrole-Naphthyridine Hosts for Anion Recognition. Molecules, 20 (6). pp. 9862-9878. ISSN 1420-3049
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Official URL: https://doi.org/10.3390/molecules20069862
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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | anion binding; NMR titrations; association constants; B3LYP/6-31G(d,p) calculations; X-ray structures |
| Subjects: | Sciences > Chemistry > Chemistry, Inorganic |
| ID Code: | 66550 |
| Deposited On: | 30 Jun 2021 14:18 |
| Last Modified: | 06 Jul 2021 09:09 |
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