In this study, the geometries of the [SiNinHn]q and [SiCunHn]q clusters, (n = 4,5,6 and q = 0,+1,-1) complexes have been optimized to form complexes with four, five and six planar and nonplanarsubstituents, with negative, neutral or positive atomic charge, using Density FunctionalTheory (DFT) at B3LYP/6-311+G (3df, p) computational level and then their thermodynamicstability were investigated b...

the coupling of tetrazotised 1,8-diaminonaphthalene with 1,3-dicarbonyl compounds [acetylacetone,methylacetoacetate and acetoacetanilide] yielded a new series of tetradentate ligand systems. analytical, ir,1h nmr and mass spectral data indicate that the compounds exist in the intramolecularly hydrogen bondeddihydrazone form. dibasic tetradentate n2o2 coordination of these compounds in their [ml...

the oxidation of complexes of ti(iii), (til6)3+ (l=ur, meur, dmeur, deture, n-bu-ur, and phur), by iodine as i3- in ethanol and acetonitrile solutions, appears to proceed as a second order reaction and is much faster in ethanol solution (where solvolysis occurs) than in acetonitrile. the enthalpy of activation appears to decrease as ligand's size increases which suggest that the kinetic stabili...

In this paper, we report the synthesis and characterization of a new symmetric macroacyclic Schiff base ligand (H2L) and related complexes with different metals. (H2L) was synthesized by the one pot condensation reaction of 2-[2-(2-formyl phenoxy)ethoxy]benzaldehyde and 2-aminobenzenethiol in a 1:2 molar ratio. The acyclic Schiff base was characterized by IR, NMR spectroscopy and elemental anal...

The novel fluorescentheterocyclic bidentate ligands have been synthesized by the high yields reaction of 8-(4-chlorophenyl)-3-Iso-butyl-3H-imidazo[4',5':3,4]benzo[1,2-c]isoxazol-5-amine with p-hydroxybenzaldehyde and p-chlorobenzaldehyde. The ligands reacted with Zn(II) ion to gained novel complexes. The optical properties of these structures were checked and the outcomes represented that t...

a competitive spectrophotometric method has been used for the study of complexation between cu2+, zn2+ and cd2+ (m) and 18-crown-6(18c6, b) in methanol using 4-(2-thiazolylazo) resorcinol (tar, hl) as the colorimetric complexant. absorption spectra of the species in the m-tar-18 c6 system at a various concentrations of 18c6 showed no formation of ternary complex, mlb, and the stoichiometry of t...

copper complexes of [cu(phen)(tda)].2h2o(1) and [(phen)2cu(µ-tda) cu(phen)](clo4)2.1.5h2o (2) (where phen is 1,10-phenanthroline and tda2- is thiodiacetate) have been synthesized. both complexes were characterized by elemental analysis, ir, uv–vis spectroscopy and cyclic voltammetry. their solid state structures were determined by the single crystal x-ray diffraction method. complex 1 is mononu...

the complexation reaction between 1,13-bis(8-quinolyl)-1,4,7,10,13-pentaoxatridecane (kryptofix5) ligand with zn2+, ni2+, co2+, pb2+, mn2+ and cu2+ ions were studied conductometrically in different acetonitrile-nitromethane (an-nm) and acetonitrile-methanol (an-meoh) mixtures. the formation constants of the resulting 1:1 complexes were calculated from the computer fitting of the molar conductan...

mp2 calculations with cc-pvtz basis set were used to analyze intermolecular interactions in f3cx···yli···nccn and f3cx···nccn···liy triads (x = cl, br; y = cn, nc) which are connected via halogen and lithium bonds. those complexes with the role of liy as halogen acceptor and lithium donor show cooperativity with energy values ranging between -1.97 and -2.92 kj mol-1. those complexes with simult...