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.
Heavy metals are currently of much environmental concern. The contamination by heavy metals in plants and water is one of the major issues to be faced throughout the world. This research is tried to estimate levels of heavy metals in vegetative crops and soil irrigated with well water (as alternative source for irrigation). Samples of well water, soil and vegetative crops were collected from agriculture fields at Al-Dora district in Baghdad. Physico-chemical parameters (pH, EC, TDS and Salinity) were measured for water and (pH, EC and salinity) for soil samples. Estimation of Lead (Pb), Nickle (Ni), Zinc (Zn) and Iron (Fe) concentrations in water, vegetable crops (Raphanus sativus, Apium graveoleus, Beta vulgaris, Allium ampeloprasum, Le
... Show MoreThe new Hexadentate complexes type [M(H3L3)]K were prepared from the condensation reaction of Diphenylmonoxime and KOH with (Mn(II), Co(II), Ni(II), Cu(II), Zn(II), and Hg(II)) in methanol with 3:1 ligand : metal ratio to give a series of new complexes of the general formula [M(H3L3)]K (where: M(II) = Mn ,Co ,N ,Cu ,Zn and Hg).All compounds have been Characterized by spectroscopic methods [I.R, U.v-Vis, atomic absorption and microanalysis (C.H.N) along with conductivity measurements. The stability constant K and Gibbs free energy ∆G were calculated for [Co (H3L3)] K, [Ni (H3L3)] K and [Cu (H3L3)] K and complexes using spectrophotometer method. The obtained values indicate that these complexes stable in their solution. From the above data
... Show MoreThe new 4-[(7-chloro-2,1,3-benzoxadiazole)azo]-4,5-diphenyl imidazole (L) have been synthesized and characterized by micro elemental and thermal analyses as well as 1H.NMR, FT-IR, and UV-Vis spectroscopic techniques. (L) acts as a ligand coordinating with some metal ionsV(IV), Fe(III), Co(II), Ni(II), Cu(II), and Zn(II). Structures of the new compounds were characterized by elemental and thermal analyses as well as FT-IR and UV-Vis Spectra. The magnetic properties and electrical conductivities of metal complexes were also determined. Study of the nature of the complexes formed in ethanol following the mole ratio method.. The work also include a theoretical treatment of the formed complexes in the gas phase, this was done using the (hyperch
... Show MorePM3 and DFT (B3LYP) with a 6-311++G (2d, 2p) level of theoretical quantum mechanical calculations were employed to give investigation into the inhibition efficiency of the two new N-phenyl-ethylidene-5-bromo isatin derivatives which are N-phenyl-ethylidene-5-bromo-3[(imine aceto) urea]-2-oxo indole (NPEO) and N-phenyl-ethyeidine-5-bromo-3[(imine aceto) thiourea]-2-oxo indole (NPES). The calculated physical properties and quantum chemical parameters correlated to the inhibition efficiency all are studied and discussed at the equilibrium geometry in a vacuum, dimethyl sulfoxide and aqueous at their correct symmetry.
The research includes the synthesis and identification of the mixed ligands complexes of M+2ions in general composition[M(Asn)2(SMX)] Where L- Aspargine (C4H8N2O3)symbolized (AsnH) as a primary ligand and Sulfamethoxazole(C10H11N3O3S) symbolized (SMX) as a secondary ligand. The ligands and the metal chlorides were brought in to reaction at room temperature in(v/v) ethanol /water as solvent containing NaOH. The reaction required the following [(metal: 2(Na+Asn-): (SMX)] molar ratios with M(II) ions, Where: M(II)=Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II). The UV–Vis and magnetic moment data revealed an octahedral geometry around M(II), The conductivity data show a non-electrolytic nature of the complexes. The antimicrobial a
... Show MoreThis research was conducted to determine the effect of different concentrations of (milkthistle) Silbum marianum leaves extracts on some plant pathogenic fungi included: Fusarium oxysporum, Alternaria sp., and Botrytis cinerea. Results showed the high antifungal activity of milk thistle leaves extract; this was evident at high concentration of extract (80) mg\ml, which completely inhibited the radial growth on solid media (PDA) for pathogens Fusarium oxysporum and Botrytis cinerea. While the spores of pathogen Alternaria sp. was able to grow in all concentration which used in this study. &n
... Show MoreIn this paper, we study the impacts of variable viscosity , heat and mass transfer on magneto hydrodynamic (MHD) peristaltic flow in a asymmetric tapered inclined channel with porous medium . The viscosity is considered as a function of temperature. The slip conditions at the walls were taken into consideration. Small
Reynolds number and the long wavelength approximations were used to simplify the governing equations. A comparison between the two velocities in cases of slip and no-slip was plotted. It was observed that the behavior of the velocity differed in the two applied models for some parameters. Mathematica software was used to estimate the exact solutions of temperature and concentration profiles. The resolution of the equatio
Experimental work has been performed on three capillary tubes of different lengths and diameters using R-12 and R-134a. The test also studies the effect of discharge and speed of evaporator fan. The results clearly showed that refrigerant type and discharge significantly influence the temperature drop across the capillary tube. While the speed of evaporator fan has small effect. Experimental results showed that the temperature gradient for the two refrigerants are the same, but after approximatly one meter the temperature gradient of R-134a is steeper than R-12.