Synthesis, crystal structure, and density functional theory study of a zinc(II) complex containing terpyridine and pyridine-2,6-dicarboxylic acid ligands: Analysis of the interactions with amoxicillin - 21/01/19
, Joshua A. Obaleye a, Margaret D. Olawale b, Jean Marie Vianney Ngororabanga c, Adeniyi S. Ogunlaja c, ⁎ , Susan A. Bourne dBienvenue sur EM-consulte, la référence des professionnels de santé.
L’accès au texte intégral de cet article nécessite un abonnement.
| pages | 10 |
| Iconographies | 14 |
| Vidéos | 0 |
| Autres | 0 |
Abstract |
An octahedral zinc(II) complex of 2,2′:6′,2″-terpyridine (Tpy) and pyridine-2,6-dicarboxylate (Pydc), [Zn(II)(Tpy)(Pydc)·4H2O] was synthesized and its structure was determined by a single-crystal X-ray diffraction. The ligand pyridine-2,6-dicarboxylate coordinated to the zinc(II) ion via two pairs of carboxylate oxygens and one nitrogen atom, whereas 2,2′:6′,2″-terpyridine also contributed three coordination bonds through its nitrogen atoms. [Zn(II)(Tpy)(Pydc)·4H2O] showed luminescence properties between 412 and 435 nm in DMSO. The solid-state octahedral geometry of [Zn(II)(Tpy)(Pydc)·4H2O] was also preserved in solution as confirmed by the observed UV λex = 346. Experimental and theoretical studies indicated that [Zn(II)(Tpy)(Pydc)·4H2O] interacted with amoxicillin. Density functional theory calculations at B3LYP/LanL2dz level of theory suggested that [Zn(II)(Tpy)(pydc)·4H2O] dimer interacts with (2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)-acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-24-carboxylic acid (amoxicillin) via highest occupied molecular orbital and lowest unoccupied molecular orbital, π–π interaction, hydrogen bond interaction, and van der Waals forces, thus influencing [Zn(II)(Tpy)(Pydc)·4H2O] properties.
Le texte complet de cet article est disponible en PDF.Keywords : Crystal structure, Amoxicillin, Luminescence, DFT calculations
Plan
Vol 22 - N° 1
P. 3-12 - janvier 2019 Retour au numéro
Article précédent
- Editorial
- Pierre Braunstein
- Effect of phosphorus on the performance of IM-5 for the alkylation of toluene with methanol into p-xylene
- Cui Wang, Yaquan Wang, Hengbao Chen, Xiao Wang, Hongyao Li, Chao Sun, Liying Sun, Chunyang Fan, Xu Zhang
Bienvenue sur EM-consulte, la référence des professionnels de santé.
L’accès au texte intégral de cet article nécessite un abonnement.
Bienvenue sur EM-consulte, la référence des professionnels de santé.
L’achat d’article à l’unité est indisponible à l’heure actuelle.
Déjà abonné à cette revue ?