The novel groups of organic chromophores containing triphenylamine (TPA) (ATP-I to ATP-IV) have been constructed by structural modification of electron donors with substitution biphenyl and bipyridine rings inserting a π-linkage. Density functional theory (DFT) and time-dependent type of it (TD-DFT) have been operated to study results of donating ability of TPA and spacer on absorption, geometrical, photovoltaic, and energetic attributes of these sensitizers. Structural attributes have been revealed that incorporation of TPA, acceptor and π bridge include a perfect coplanar conformation in TPA-III. Based on frequency computations and ground-state optimization, bandgap (Eg) energy, ELUMO, EHOMO have been determined. For enlightening maximum absorbance wavelength (λmax) and oscillator strength (f), TD-CAM-B3LYP computations have been employed. The absorption wavelength was shifted about ∼650 nm for TPA-III. Results indicate that among all dyes, TPA-III dye is considered the most promising candidates.
Allah the Almighty has honored many of his slaves in the high houses for their efforts in building the scientific edifice of this nation, by demonstrating what is needed from the legal provisions for all the relations between them, and the actions that they emanate from. The tasks of the abbreviations and Almstsot, and deposited in the mabahith after various investigations and precious precious matters and showed all the human needs in his life and what is expected to happen, even on the rarest possibilities, and their efforts that left the nation on the cases of Goliath. , And Ask They are in Dar dignity with the best creatures and make us a share of those good things, and Odamna to obey Him and His pleasure until death, and forgive us
... Show MoreExperimental study of heat transfer coefficients in air-liquid-solid fluidized beds were carried out by measuring the heat rate and the overall temperature differences across the heater at different operating conditions. The experiments were carried out in Q.V.F. glass column of 0.22 m inside diameter and 2.25 m height with an axially mounted cylindrical heater of 0.0367 m diameter and 0.5 m height. The fluidizing media were water as a continuous phase and air as a dispersed phase. Low density (Ploymethyl-methacrylate, 3.17 mm size) and high density (Glass beads, 2.31 mm size) particles were used as solid phase. The bed temperature profiles were measured axially and radially in the bed for different positions. Thermocouples were connecte
... Show MoreOrtho amino hydrazobenzene (L) has been prepared from the reaction of ortho amino phenyl thiol with phenyl hyrazan in mole ratio(1:1). It has been characterized by elemental analysis (C, H, N), IR, UV–Vis. The complexes of the bivalent ions (Co, Ni, Cu, Zn, Pd, Cd, Hg and Pb) and the trivalent (Cr) have been prepared and characterized too. The structural have been established by elemental analysis(C,H,N), IR , UV – Vis spectra , conductivity measurements , atomic absorption and magnetic susceptibility . The complexes showed characteristic behaviour of octahedral geometry around the metal ion and the( N,N) ligand coordinated in bidentate modeexcept with pd showed square planer. ? ,kf , ?max for the complexes were estimated too . ? for Co
... Show MoreThe research includes the preparation of two nano polymer ( , ) through a grafted nano ceramic material (aluminum oxide )(80 nm) by acrylic acid monomer. The latter was extended with two different ester monomers using free radical polymerization. The antibacterial activity of the prepared compounds) performed according to the agar diffusion method. All compounds (1, 2, 3, 4, NP1, NP2) showed inhibition against bacterial
In this work, lead oxide nanoparticles were prepared by laser ablation of lead target immersed in deionized water by using pulsed Nd:YAG laser with laser energy 400 mJ/pulse and different laser pulses. The chemical bonding of lead oxide nps was investigated by Fourier Transform Infrared (FTIR); surface morphology and optical properties were investigated by Scanning Electron Microscope (SEM) and UV-Visible spectroscopy respectively, and the size effect of lead oxide nanoparticles was studied on its antibacterial action against two types of bacteria Gram-negitive (Escherichia coli) and Gram-positive (Staphylococcusaurus) by diffusion method. The antibacterial property results show that the antibacterial activity of the Lead oxide NPs was
... Show MoreThe preparation and characterization of the Cu (II), Co(II), Ni(II), Zn(II), Cd(II), and Hg(II) metal complexes of heterocyclic azo ligand 2-[(4`-sulphamide phenyl) azo] -4,5-diphenyl imidazole (4-SuBAI) have been studied by elemental analysis, FT-IR and UV-Vis Spectroscopic, magnetic moment and molar conductance methods. The analytical data showed that all chelate complexes were prepared with (metal-ligand) ratio of (1:2). The general formula of these complexes was [ML2X2]. nH2O [were L=2-[(4`-sulphamide phenyl) azo]-4,5-diphenyl imidazole and X=Cl, and the octahedral geometry were suggested for these complexes .
In this manuscript divide into two parts the first experimental and the second theoretical. The experimental part of polyvinyl chloride (PVC) can be used with aluminum (30%). Nanomaterials are synthesized by a laser pulse melting solution by ethanol. The effect of laser on the structural, morphological, optical, and electrical properties of nanoparticles (PVC) was examined by UV spectroscopy, x-ray diffraction (XRD), electron microscopy (TEM). The theoretical part of the DFT can be used to approximate the generalized gradient of the Perdew, Burke, and Ernzerhof (PBE) / 6-31G (d) groups, which were created using additional Gaussian 09 software through Gaussian 5.08. To build PVC nanocrystal pure which chemical formula [(C2H3Cl)n] and build (
... Show MoreThis matter demands protecting economy from the acquisition on it by the holding companies with their influential impacts as a willingness to dominate and control the other companies which could lead to the disruption of the principle of equality among the shareholders in the financial and administrative rights because some persons follow several methods of control over the activity of the acquisition- targeted companies and the confiscation of the rights of others resulting in a negative impact if accompanied by a lack of transparency and disclosure by holding companies. The holding company, whether directly or indirectly, may control a company's administration or other companies' administration leading to expansion in acquisition
... Show MoreEuphorbia lateriflora is a popular traditional medicinal plant whose leaves are used in Africa, especially Nigeria, to treat wounds and many diseases. This study investigated the preliminary phytochemical constituents, secondary metabolites by High-Performance Liquid Chromatography “HPLC” technique, and antimicrobial potentials (Minimum Inhibitory Concentration “MIC”, Minimum Fungicidal Concentration “MFC” and disc diffusion assay) of various concentrations (100 mg/mL, 50 mg/ml, and 25 mg/mL) of the solvents (ethyl acetate and n-hexane) extracts of E. lateriflora against Staphylococcus aureus, Escherichia coli and Candida albicans. The phytochemical screening revealed that
... Show MoreFollowing the political development in Iraq Since 7112 exposed kind of political traditions about how to manage the conflicts that have different Iraqi powers .That what was clear since the formation of permanent government since in 7112 .
The case of conflict between political powers in administrating Iraq state and the withdrawal of American Forcesintroduces questions:
0-Is it possible that that the beginning of Iraq state building shall ease this conflict and peacemaking in the post-conflict period?
7- To what extent the Iraqi powerswas to manage their disputes in non-military like elections which was held in 7112?
2- What is the range of the extent of the political operation after the American withdrawal?
The important