A theoretical study of a series of five glucose based glycolipid crown ethers and their complexes with Na(+) and K(+) was performed using the density functional theory with B3LYP/6-31 G* to obtain the optimized geometrical structures and electronic properties. The local nucleophilicity of the five molecules was investigated using Fukui function, while the global nucleophilicity was calculated f...

Two series of homoleptic phenolate complexes with fluorinated aryloxide ligands A2[M(OAr)4] with M=Co2+ or Cu2+, OAr-=(OC6F5)- (OArF) or [3,5-OC6H3(CF3)2]- (OAr'), A+=K (18-crown-6)+, Tl+, Ph4P+, Et3HN+, or Me4N+ have been synthesized. Two related complexes with nonfluorinated phenoxide ligands have been synthesized and studied in comparison to the fluorinated aryloxides demonstrating the drama...

Tris(bipyridyl)ruthenium(II) complexes modified such that one of the bipyridines is appended with a crown ether display luminescence that is responsive to complexation with metal ions. The parent species, Ru(bpy)3(2+), is moderately luminescent, with an emission lifetime of about 1 micros in fluid solution at room temperature. The modified complexes are much less emissive, with lifetimes near 1...

The first sodium-magnesium and sodium-zinc ketimido complexes display contrasting inverse crown ring and pseudo-cubane structures respectively, while a sodium-zinc heterotrianionic alkide-alkoxide-amide adopts a third type of structure with a stepped ladder motif.

Pentiptycene-based mono(crown ether)s and tetracationic cyclobis(paraquat-p-phenylene) can form 1 : 1 stable complexes in solution and in the solid state, in which both of the components act as the host as well as the guest.

The discovery of the crown ethers stemmed from efforts to control the catalytic activity of vanadium and copper by complexation with multidentate ligands. The first crown ether, 2,3,11,12-dibenzo-1,4,7,10,13,16-hexaoxacyclo-octadeca-2,11-diene, was obtained in 0.4% yield during an attempt to prepare a phenolic ligand from catechol and bis(2-chloroethyl)ether. This compound, which complexed with...

The coordination properties of the macrocyclic receptor N,N'-bis[(6-carboxy-2-pyridyl)methylene]-1,10-diaza-15-crown-5 (H(2)bp15c5) towards the lanthanide ions are reported. Thermodynamic stability constants were determined by pH-potentiometric titration at 25 °C in 0.1 M KCl. A smooth decrease in complex stability is observed upon decreasing the ionic radius of the Ln(III) ion from La [log K(L...

A series of multidentate N-donor ligands have been synthesised all containing pyridyl and pyridyl/thiazole units and their coordination behaviour is described. The ligands are classified into four types; i) terpyridine containing pyridyl/thiazole ligands (L); ii) pyridyl/thiazole ligands containing a 3,3′-disubstituted bipyridine core. (L); iii) 2,2′-bipyridine containing a crown ether moiety (...

The DO1(18c6)fi (MwLi. Na. K and I 8c6=18-crown-6) complexes have been chosen as the model systems toinvestigate the nature of chemical bonds between alkali metal cations and large mffitidentaie orgmnic ligands.The B3LYP/6-3I+G(d,p) level of calculation has been used for obtaining equilibrium geernetnes and p(r)functions (electron density distributions). By the aid of fundamental physical theor...