Density Functional Theory (DFT) with B3LYP hybrid exchange-correlation functional and 3-21G basis set and semi-empirical methods (PM3) were used to calculate the energies (total energy, binding energy (Eb), molecular orbital energy (EHOMO-ELUMO), heat of formation (?Hf)) and vibrational spectra for some Tellurium (IV) compounds containing cycloctadienyl group which can use as ligands with some transition metals or essential metals of periodic table at optimized geometrical structures.
A new Schiff base (4-chlorophenyl)(phenyl methanimine (6R,7R)-3-methyl-8-oxo-7-(2-phenylpropanamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate=HL=C29H24ClN3O4S) has been synthesized from β-lactam antibiotic (cephalexin mono hydrate (CephH)=(C16H19N3O5S.H2O) and 4- chlorobenzophenone. Metal mixed ligand complexes of the Schiff base were prepared from chloride salt of Fe(II), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II), in 50% (v/v) ethanol – water medium in aqueous ethanol(1:1) and Saccharin(C7H5NO3S) containing sodium hydroxide. Several physical tools in particular; IR, C:H:N , 1H NMR,13C NMR for ligand, melting point, molar conductance, magnetic moment. and determination of the percentage of the metal in the complexes by flame(AAS
... Show MoreIn this investigation, deep eutectic solvent based on propionic acid and choline chloride was used to prepare polyaniline, polypyrrole, and poly(aniline-co-pyrrole) samples using chemical oxidation and polymerization. Quantum mechanical calculations were conducted using time-dependent density functional theory to determine the electronic, spectroscopic properties and structure of homopolymers and the copolymer which were compared with the respective experimental data. Furthermore, the synthesized materials were characterized using Fourier transform IR spectroscopy, scanning electron microscopy (SEM), UV-visible spectroscopy, and thermogravimetric analysis. IR and UV-visible spectra confirmed copolymerization, and SEM revealed that the copol
... Show MoreBaghdad Lake Touristic is suffering from a lake of tourism and entertainment services
efficiency provided to their visitors , knowing that this type of services as they are the basics
to achieve economic and socialist development because of their indicators where their goal is
to serve human in city as they represent lungs which population breathe within .
The Parks are resorted as human usually in search of quiet and funny places , away from
the noise of the city and its complex , as well as they give the city a beauty manifestations ,
that give happiness.
The study reached that there is deficiencies in service present, inability to provide
services and inadequate for the population and bad distribution. So the s
Crude oil still affects many countries because it is one of the essential fuel sources. It makes life more manageable in modern communities and cannot be overstated because it is easy to use and find. However, the pollution caused by its use in industries such as mining, transportation, and the oil and gas business, especially soil pollution, cannot be ignored. Soil pollution is an issue in most communities because it influences people and ecology. Accidental infusions and spills of ore oils are prevalent occurrences leading to the entire or fractional exchange of the soil pore fluid by oil-contaminated soils that have affected the geotechnical engineering properties. The liquid limitations for polluted soil grades silty loam and sa
... Show MoreCrude oil still affects many countries because it is one of the essential fuel sources. It makes life more manageable in modern communities and cannot be overstated because it is easy to use and find. However, the pollution caused by its use in industries such as mining, transportation, and the oil and gas business, especially soil pollution, cannot be ignored. Soil pollution is an issue in most communities because it influences people and ecology. Accidental infusions and spills of ore oils are prevalent occurrences leading to the entire or fractional exchange of the soil pore fluid by oil-contaminated soils that have affected the geotechnical engineering properties. The liquid limitations for polluted soil grades silty loam and sa
... Show MoreCompounds from ZnO doped with AgO in different ratio (0,3,5,7, and 9)wt.% were prepared.Thin films from the prepared compounds were deposited on a glass substrate using the pulsed laser deposition method. The XRD pattern confirmed the presence of a single-phase hexagonal wurtzite ZnO structure, without the presence of a secondary phase. AFM measurements showed an increase in both average grain size and average surface roughness with increasing concentration content of (AgO).The crystallite size of ZnO of the main peak corresponding to the preferred plane of crystal growth named (100) increases from 17.8 to 22.5nm by increasing of AgO doping ratio from 0 to 9%. The absorbance and transmittance in the wavelength range (350-1100 nm)
... Show MoreThis study has been done on plant [Adhatoda vasicia , Acanthaceae family],which has been collected from gardens of university of Baghdad The leaves of plant were extracted by methanol alcohol obtain the crude extraction good ratio(30%).Eighty swabs or samples were collected from several wounds patients of hospitals in Baghdad city.These swabs were cultured on blood and MacConkey ager to isolate bacteria and identified by appearance and bio chemical tests.The results showed that(60)somples were positive(75%)for tests bacteria white the other(20)swabs were negative(25%).The bacteria were identified as Pseudomonas aeruginosa ,Staphylococcus awreus , Esherichia coli,Proteus spp and Klebsiella spp; and their number percentage were(32)isolates(
... Show MoreThis paper presents a new azo dye 3-[2-(1H-indol-2-yl)ethyldiazenyl]quinolin-2-ol] from the reaction of the diazonium salt derived from tryptamine and 2-hydroxyquinoline. Azo dye was used to prepare a series of complexes with the chlorides of Ni(II), Pt(IV), Pd(II), Cd(II), and Zn(II). Compounds were analyzed and characterized using elemental analysis, magnetic measurement, UV-vis, IR, MS, NMR, and conductivity. The findings demonstrated that the ligand acts as ionic in complex form, O-bidentate, supporting the proposed formula. The complexes generally exhibited tetrahedral and octahedral geometries, except the palladium complex, which adopted a square planar geometry. TGA was used to investigate the thermal characteristics of compo
... Show MoreThis is a descriptive study that used the survey method, it’s aimed to identify the topics and frameworks of diplomatic and political issues covered by the news of the website of the Iraqi Ministry of Foreign Affairs, through the content analysis method applied on a sample selected in a systematic random manner for news published in the year 2021. The sample included (191) news equivalent to (20%) of the total study population of (942). The study reached some results, the most important of which were as follows: The political issue, in its general sense, grabbed the most prominent attention among the various issues and events focused on by Iraqi diplomacy: "international cooperation", "bilateral cooperation", and then "regional politic
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