Sharif Digital Repository

The reaction of 15-18 membered benzodiazacrown ethers with salicylaldehyde afforded n-membered O2N2-donor macrocyclic ligands mounted with 1,3-diazacyclohexane subrings (1-4) in high yields. The products were characterized by FT-IR, 1H, 13C NMR spectroscopy, elemental analyses, and single crystal X-ray studies. The solid state structures revealed strong intramolecular hydrogen bonding between the pendant phenolic group and the tertiary nitrogen of the corresponding macroring  

The structural and computational studies of a new molybdenum tetracarbonyl complex of 5,14-dihydro-6,17-dimethyl-8,15-diphenyldibenzo[b,i]-[1,4,8,11]tetraazacyclotetradecine, a 14-membered tetraazaannulene macrocyclic ligand, Me2Ph2H2TAA, were carried out by X-ray crystallography and density functional and natural bond orbital (NBO) theories. The complex showed an interesting intermolecular C-H⋯O hydrogen bond which was supported by n → π∗ interaction, forming a one-dimensional extended chain along the b-axis. Interesting intramolecular C-H⋯π and very short σ → π∗ (C-H⋯CO) interactions stabilized the twisted geometry of the coordinated ligand. © 2019 The Royal Society of Chemistry 2019  

The structural and computational studies of a new molybdenum tetracarbonyl complex of 5,14-dihydro-6,17-dimethyl-8,15-diphenyldibenzo[b,i]-[1,4,8,11]tetraazacyclotetradecine, a 14-membered tetraazaannulene macrocyclic ligand, Me2Ph2H2TAA, were carried out by X-ray crystallography and density functional and natural bond orbital (NBO) theories. The complex showed an interesting intermolecular C-H⋯O hydrogen bond which was supported by n → π∗ interaction, forming a one-dimensional extended chain along the b-axis. Interesting intramolecular C-H⋯π and very short σ → π∗ (C-H⋯CO) interactions stabilized the twisted geometry of the coordinated ligand. © 2019 The Royal Society of Chemistry 2019  

The interaction of [60]fullerene with a newly synthesized series of 17-to 21-membered macrocyclic ligands containing an O2N3-donor set has been investigated. The formation constants (K) arising from their complexation with [60]fullerene macrocycles, having various ring size, were measured in CHCl3 media by UV-visible spectroscopy applying Benesi-Hildebrand (BH) equation and their stoichiometries were also determined by the Job method. The best K value was measured for 20-membered ring macrocycle in which a 1:1 complexation stoichiometry with [60]fullerene was dominant. Furthermore, 1H NMR spectroscopy data reveled that the macrocylic ligand coordinates [60]fullerene via the nitrogen-donor... 

A comparative investigation of the interaction of Cu(II) with a series of 15- to 19-membered mixed-donor dibenzo-substituted macrocyclic ligands, each incorporating an O2N2-donor set, has been carried out using UV-Visible studies in methanol. Although a ring size effect has been reported for a related series of Ni(II) complexes, no such metal ion discrimination has been reported for Cu(II) in terms of its binding constants with 14- to 17-membered macrocycles. Employing Job's method of continuous variation established 1:1 stoichiometry for the interaction between Cu(II) and 1-5. From UV-Visible studies applying the Benesi-Hildebrand equation, the binding constants (K) of Cu(II) with 1-5 were... 

The noticeable enhancement in fluorescence emission of O2N2-donor naphthodiaza-crown macrocyclic ligand (L) in the presence of Hg2+ was observed in which the fluorescence quantum yield of free ligand L as well as L/Hg2+ complex were found to be as 0.29 and 0.49, respectively. The observed ultra-low limit of detection (LOD) for Hg2+ by L was determined as low as 1.0 × 10−11 M in water. A 1:1 stoichiometry was also established for L/Hg2+ together with a binding constant KBH = 66,543 by employing fluorescence spectrophotometry. The competition experiments on L/Hg2+ demonstrated highly selective detection of Hg2+ in the presence of the library cations. A two path mechanism for detection of metal... 

Two new macrocyclic ligands Ln (L and L′) bearing two fluorophore naphthalene moieties were synthesized and characterized by employing 1H and 13C NMR, IR, microanalysis as well as mass spectrometry. Comparative studies on the effect of assorted metal cations as Cr(III), Cu(II), Zn(II), Cd(II), Pb(II), Na(I), Ni(II), Co(II), Ba(II), Fe(II), Al(III), Mg(II), Cs(I), Ca(II), Hg(II), K(I), Mn(II), Ag(I), Fe(III) on fluorescence and UV–vis spectra of Ln in ethanol illustrated that both of the macrocycles were sensitive and selective fluorescence chemosensors for Al(III). Remarkable binding constant values as 1.36 × 105 M−1 and 1.15 × 105 M−1 alongside 1:1 stoichiometry for Al(III)/L and Al(III)/L′... 

Two new macrocyclic ligands Ln (L and L′) bearing two fluorophore naphthalene moieties were synthesized and characterized by employing 1H and 13C NMR, IR, microanalysis as well as mass spectrometry. Comparative studies on the effect of assorted metal cations as Cr(III), Cu(II), Zn(II), Cd(II), Pb(II), Na(I), Ni(II), Co(II), Ba(II), Fe(II), Al(III), Mg(II), Cs(I), Ca(II), Hg(II), K(I), Mn(II), Ag(I), Fe(III) on fluorescence and UV–vis spectra of Ln in ethanol illustrated that both of the macrocycles were sensitive and selective fluorescence chemosensors for Al(III). Remarkable binding constant values as 1.36 × 105 M−1 and 1.15 × 105 M−1 alongside 1:1 stoichiometry for Al(III)/L and Al(III)/L′...