Sharif Digital Repository

In this research, a new group of N2O2–azacrown macrocyclic ligands with different macroring size from 15 to 18 was synthesized using one-pot facile and high yield reaction. The products were characterized applying FT-IR, 1H and 13C NMR spectroscopies as well as elemental analysis. The single crystal structure of 18-membered macrocyclic ligand was also determined by x-ray crystallography. The crystallographic data showed such strong inter-molecular hydrogen bonding which excluded their nitrogen-donor groups, and initial investigation with UV-Vis spectroscopy shows no intraction with [60]fullerene, despite of presence of these interacrtions in their parent macrocycles. The result of Job’s... 

This thesis contains four chapters. In first chapter the role of water in organic reactions as a ecofriendly solvent, computational chemistry and dynamic nuclear magnetic resonance were studied. In the second chapter synthesis of new 4-hydroxy pyrrole derivatives in water were reported. For the synthesis of these compounds arylglyoxal derivatives, 1,3-dicarbonyl compounds and ammonium acetate were used. The reaction conditions are very mild. The third chapter contains the synthesis of new (4 or 5)-Aryl-2-aryloeil-(1H)-imidazole compounds in aqueous media. We also investigated the tauto-isomerisation of isomeric imidazoles during this reaction using DNMR technique. In forth chapter a... 

The current thesis deals with designing of functionalized nanoporous catalysts modified with organic groups and ionic liquids and their applications for some challenging organic reactions such as synthesis of adipic acid and fatty acid esterifications. In this condition the catalysts show enhanced activity since the hydrophobicity of the surface can tune by applying organic groups. In this regard, oxidation of cyclohexene was performed using hydrogen peroxide as oxidant in the present of tungstate based task–specific ionic liquids and silica–functionalized ammonium tungstate as green catalysts. The results indicate that adipic acid achieves in high yield with excellent selectivity.... 

In the present study, the coordination chemistry of an amino acid azacrown macrocycle ligand bearing one carboxylic acid arm (MA1) was investigated by employing NMR spectroscopy, crystallography and computational chemistry. MA1 was synthetized by the reaction of chloroacetic acid with the parent azacrown macrocycle and its purity was confirmed with 13C and 1H NMR for the first time. A new MA1 homologue, MA3 was also successfully prepared and characterized with NMR, mass spectrometry, and elemental analysis. NMR studies showed that MA1 binds to cadmium via the carboxylate arm in solution. Crystallographic studies showed that MA1 formed a one-dimensional polymer with cadmium, wherein the... 

Antioxidants are compounds with anti-cancer, anti-bacterial, anti-viral, anti-aging and anti-allergic properties. In the present study, a quantum mechanical approach has been used to shed light on the presence effect of glycoside group on the antioxidant ability of chrysin as one of the most important consumable flavonoids and two glycoside derivatives, chrysin-6-C-fucopyranoside and chrysin-3-malonyl-6-C-fucopyranoside which has electron-withdrawing group (EWG) in its C3 of glycoside group. Density functional theory (DFT) using B3LYP and UB3LYP functional and split-valance 6-311++G ** basis set were used to optimize chrysin, its different derivatives, and their radicals. Analysis of... 

1- Mesoporous silica materials have been found to possess pore sizes ranging from 2 -10 nm alongside 2D-hexagonal and 3D-cubic structural features. The specific properties of nanoparticles of the mesoporous silica family, such as the collected size, porosity, morphology, and high chemical stability, make them among the best drug delivery systems and catalysts. Designing the catalysts with advanced structures that effectively locate the transition metals and create active centres onto the surfaces of mesoporous silica materials has attracted extraordinary attention. According to many studies, mesoporous silica materials without organic functional groups cannot be used as catalysts in chemical...