Stability of the π-π stacking interactions in the Ben||substituted-coronene and HFBen||substituted-coronene complexes was studied using the computational quantum chemistry methods (where Ben and HFBen are benzene and hexaflourobenzene, || denotes π-π stacking interaction, substituted-coronene is coronene molecule which substituted with four X groups, and X= NH2, CH3, OH, H, F, CF3, CN and NO). ...

antioxidants act as free radical scavengers in the oxidation processes. thus, they will certainly play diverse roles in the biological systems and the therapy of a wide variety of diseases. regarding this fact, in the present study, we synthesized two new salen ligand compounds by the condensation of ethylendiamine and salicylaldehyde derivatives in excellent yields.the structures of these liga...

the structural and energetic characteristics of o3–h2o complexes have been investigated by means of b3lyp, mp2, mp4(sdtq), ccsd(t) and qcisd(t) methods in conjunction with the aug-cc-pvdz and aug-cc-pvtz basis sets. six conformers were found for the o3–h2o complex. two different intermolecular interactions were expected to participate in the formation of complexes, namely conventional o∙∙∙h hyd...

the complex formation reaction between iodine with tetrabutylammonium halides (tbax) has been studied spectrophotometrically in chloroform solution at 25ºc. various aspects of the spectra of iodine in the presence of various concentration of different tetrabutylammonium halides have been discussed in terms of electronic specifications of iodine and halides. in the case of tetrabutylammonium iod...

phenylazo and benzothiazolylazo derivatives of trifluoroacetylacetone andhexafluoroacetylacetone have been synthesized and characterized. analytical and spectral datarevealed the existence of phenylazo derivatives in the intramolecularly hydrogen-bonded ketohydrazoneform while the benzothiazolylazo derivatives in the azo-enol form. the monobasicbidentate coordination of the phenylazo derivative...

n-propylsalicylidene based on silica as ion exchanger (ie) was used for the separation by complexation of mn2+, co2+, ni2+, cu2+, hg2+, cr3+, fe3+, and uo22+ from their parent solutions. ie and its metal complexes are characterized by elemental analysis, electronic and infrared spectra, in addition to thermal analysis in atmospheric pressure. the mode of chelation and the proposed geometric str...

Nickel (II) and copper (II) complexes of highly unsymmetrical tetradentate Schiff base have been synthesized by the template reaction of half-units N-(1-hydroxy-2-acetonaphtone)-1-amino-2-phenyleneimine (HL) and N-(2-hydroxyacetophenone)-1-amino-2-phenyleneimine (HL1) with the glyoxalphenylhydrazone. The complexes have been characterized by elemental analyses, conductance, IR, 1H NMR and UV spe...

We have prepared and characterized a few Mn (III) complexes by using a few bidentate and tridentate ligands. Spectra of the manganese (III) ion in a variety of molecular environments are reported. On the basis of solution spectra, some of these complexes seem to be typically distorted

the reaction of copper(ii) chloride and zinc(ii) chloride with n-(2-methylphenyl)-3-(1'-salicylaldehydene-2'-imine-ethane)-butanamide(h2l2a) or (mpsb), n-(2-methylphenyl)-3-(1'-(3'-methoxysalicylaldehydene-2'-imine-ethane)-butanamide (h2l2b) or (mpmsb) and n-(2-methylphenyl)-3-(1'-(2'-hydroxyacetylene-2'-imine-ethane)-butanamide (h2l2c) (mphb) leads to th...

3-(2-furanyl)-2-propenoic acid has been used to prepare a new series of organotin complexes of general formula r3snl (r=me, et, n-bu, ph and cy) and r2snl2 (r=me and n-bu). these complexes have been characterized by elemental analyses, ir, 1h-nmr, mass and mössbaure spectroscopy.