Charge-transfer (CT) complexes of adenine (Ade.), guanine (Gua.), xanthine (Xan.), and inosine (Ino.) as electron donors with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ), 2,3,5,6-tetrabromo-1,4-benzoquinone (Bromanil)(BA) as π – electron acceptors and iodine (Iod.) as σ – electron acceptor were studied and their electronic spectra recorded .In each case one (CT) band was observed and recorded. These spectroscopic investigations made in ethanol solvent at (20°C) temperature. The values of equilibrium constant (KCT), change in standard free energy (ΔG°), molar extinction coefficient (εCT(, absorption band energy (hνCT) of CT complexes and the association energy of the CT complexes-excited state (W) were calculated and studied with discussed. The ionization potential of the donors (IP) were calculated and discussed from the CT complex band lowest energy. The oscillator strength (fCT), transition dipole moment (μCT) and resonance energy (ER) were also calculated and discussed.
A mathematical model was proposed to study the microkinetics of esterification reaction of oleic acid with ethanol over prepared HY zeolite catalyst. The catalyst was prepared from Iraqi kaolin source and its properties were characterized by different techniques. The esterification was done under different temperature (40 to 70˚C) with 6:1 for molar ratio of ethanol to oleic acid and 5 % catalyst loading.
The microkinetics study was done over two period of time each period was examined individually to calculate the reaction rate constant and activation energy. The impact of the mass transfer resistance to the reactant was also investigated; two different studies have been accomplished to do this purpose.
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... Show MoreThree ligands were prepared, spectroscopic method and elemental analysis verified their structures. The L1 and L2 ligands are flavylium salts while the third one L3 is a Flavon. The reactions between transition metal salts and the ligands have synthesized two groups of new metal complexes, one group contains L1, L3 coordinated with the metal ion. The other group contains L2, L3 and the metal. These complexes have been identified by available spectroscopic tools (UV-Visible and IR), the C.H.N results confirmed the proposed structures. The experimental data disclosed that the complexes were coordinated by 6the coordinate with mono-and bidentate ligands forming octahedral structure, in which L3 acts as monodentate and L1, L2 as bidentate ligan
... Show MoreThe ligand [Potassium (E)-(4-(((2-((1-(3-aminophenyl) ethylidene) amino)-4-oxo-1, 4-dihydropteridin-6-yl) methyl) amino) benzoyl)-L-glutamate] was prepared from the condensation reaction of folic acid with (3-aminoacetophenone) through Schiff reaction to give a new Schiff base ligand [H2L]. The ligand [H2L] was characterized by elemental analysis CHN, atomic absorption (AA),(FT-IR),(UV-Vis), TLC, ES mass (for spectroscopes), molar conductance, and melting point. The new Schiff base ligand [H2L], reacts with Mn (II), Co (II), Ni (II), Cu (II), Cr (III) and Cd (II) metal ions and (2-aminophenol),(metal: derivative ligand: 2-aminophenol) to give a series of new mixed complexes in the general formula:-K3 [M2 (HL)(HA) 2],(where M= Mn (II) and Cd
... Show MoreAlbumin is the most abundant protein in blood plasma, serves as a circulating depot for endogenous and exogenous (e.g. drugs) compounds due to its ligand binding properties, this work aim to get information about the binding of Amoxicillin (antibiotics) with albumin, and the influence of the solvent polarity and ionic strength on it by using UV -vis spectrophotometric measurements in phosphate buffer of pH7.4 and three different temperature (290, 300, 310) K. The UV absorption shows a change and a shift in the absorbency and a shift in albumin and amoxicillin peaks, the two changes are indicative of complex formation. The stoichiometry of the interaction were calculated by the method of continuous variations which was1:1at pH 7.4.The equ
... Show MorePM3 and DFT (6-311G/ B3LYP) level calculations were carried out for the 5Radialene molecule, which is exhibit D5h symmetry. The obtained equilibrium geometry was applied for the calculation of all 3N−6 vibration frequencies, and for the analysis of its normal coordinates and symmetry species, in addition to some physical properties such as heat of formation, total energy, dipole moment and energy difference of HOMO and LUMO levels (ΔELUMO-HOMO), using Gaussian-03 program. The so calculated frequencies according to DFT (6-311G/ B3LYP) fall in the ranges;
CH2 str. (3016-3098 cm-1), C=C str. (1662-1709cm-1), ring (C-C str.) (1268-1464 cm-1). δCH2 (890-1317cm-1), (δCCC) (562-631cm-1), γCH2 (738-946cm-1) and γring (γCCC) (
Mixed ligand complexes of bivalent metal ions, viz ; M= Co(II),Ni(II),Cu(II), Zn(II), Cd (II), and Hg(II) of the composition [M(Anth)2(TMP)] in 1:2:1 molar ratio, (where . AnthrH= Anthranilic acid (C7H7NO2) and Trimethoprime (TMP) = (C14H18N4O3) have been synthesized and characterized by repeated melting point determination, Solubility, Molar conductivity (Λm ),determination the percentage of the metal (M%) in the complexes by (AAS), FT-IR, magnetic susceptibility measurements [µeff (BM)] and electronic spectral data. The two ligands and their metal complexes have been screened for their bacterial activity against selected microbial strains (Gram +ve) & (Gram -ve).
Mixed ligand complexes of bivalent metal ions, viz ; M= Co(II),Ni(II),Cu(II), Zn(II), Cd (II), and Hg(II) of the composition [M(Anth)2(TMP)] in 1:2:1 molar ratio, (where . AnthrH= Anthranilic acid (C7H7NO2) and Trimethoprime (TMP) = (C14H18N4O3) have been synthesized and characterized by repeated melting point determination, Solubility, Molar conductivity (Λm ),determination the percentage of the metal (M%) in the complexes by (AAS), FT-IR, magnetic susceptibility measurements [μeff (BM)] and electronic spectral data. The two ligands and their metal complexes have been screened for their bacterial activity against selected microbial strains (Gram +ve) & (Gram -ve).