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jih-573
Theoretical Calculation of Reorientation Energy in Metal /Semiconductor Interface
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A theoretical calculation of the reorientation energy for non adiabatic electron transfer at
interface between metal and semiconductor system was carried out. The continuum outer
sphere theory of electron transfer reaction has been extensively used for electron transfer
between metal/semiconductor interface .It is found that in these calculations the reorientation
energy is proportional to the optical and statistical dielectric constant of semiconductor ,
properties of metal ,and the distance between metal and semiconductor .Results of
reorientation energy show that ZnO semiconductor with metal Au possess a good matching as
compared with ZnS and ZnSe . Theoretical calculation showed a good agreement with
experimental value.

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Publication Date
Sun Apr 30 2023
Journal Name
Iraqi Journal Of Science
Synthesis and Characterization of Some New Metal Complexes of 2-phenyl-2-(p-tolylamino) and 2-phenyl-2-(phenylamino) Acetonitrile Compounds
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The synthesis and characterization of new complexes of Cr(III), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) with bidentate [L1: 2-phenyl-2-(p-tolylamino) acetonitrile] and [L2: 2-phenyl-2-(phenylamino) acetonitrile] ligands has been described. The two ligands were prepared by the reaction of p-toluidine and aniline with benzaldehyde, respectively in the presence of potassium cyanide and acidic medium. The complexes were synthesized by treating an ethanolic solution of the ligand with metal salts in a mole ratio of [1:2] [M:L]. The complexes were characterized by using metal and elemental analyses, electronic spectra, 1H-NMR, 13C-NMR, Thermal Gravimetric Analysis TGA, molar conductivity and magnetic susceptibility. According to the obtaine

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Publication Date
Fri Aug 28 2020
Journal Name
Iraqi Journal Of Science
Theoretical and Experimental Study for Corrosion Inhibition of Carbon Steel in Salty and Acidic Media by A New Derivative of Imidazolidine 4-One
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A new imidazolidine 4-one derivative, of namly 2-[2-(4-Bromo-phenyl)-imidazo [1,2-a] pyridine-3-yl]-3-(4-nitro-phenyl)-imidazolidine-4-one (BPIPNP) was investigated as corrosion inhibitor for carbon steel in salty (3.5% NaCl) and acidic (0.5M HCl) solutions using potentiometric polarization measurements. The results revealed that the percentage inhibition efficiencies (%IE) in the salty solution (90.67%) are greater than that in the acidic solution (83.52%). Experimentally, the thermodynamic parameters obtained have supported a physical adsorption mechanism and which followed Langmuir adsorption isotherm. Density Functional Theory (DFT) of quantum mechanical method with B3LYP 6-311++G (2d, 2p) level was used to calculate geometrical stru

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Publication Date
Thu Mar 01 2018
Journal Name
International Journal Of Science And Nature
EXPERIMENTAL AND THEORETICAL STUDY OF 3-BENZYL -2- MERCAPTOQUINOIZOLINE-4(3H)-ONE (BMQ) AS AN INHIBITOR OF CARBON STEEL CORROSION IN ACIDIC MEDIA
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The inhibition of 3-Benzyl -2-mercaptoquinoizoline -4 (3H)-one (BMQ) on the corrosion of carbon steel in 0.5 M HCl studied by potentionstat polarization methods at 303–333 K. Results obtained show that BMQ act as inhibitor for carbon steel in HCl solution. The inhibition efficiency increase with increase in BMQ concentration. Activation parameters and Gibbs free energy for the adsorption process using Statistical Physics calculated and discussed. Quantum chemical calculations using DFT at the B3LYP/6-31G level of theory were used to calculate some electronic properties of the molecule to verify any correlation between the inhibitive effect and molecular structure of BMQ. The quantum calculations were proceeded to get data around correlati

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Publication Date
Fri Jan 01 2021
Journal Name
Desalination And Water Treatment
Microwave induced activated carbon for the removal of metal ions in fixed-bed column study: modelling and mechanisms
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Publication Date
Tue Feb 28 2023
Journal Name
Iraqi Journal Of Science
Levels of Some Metal Contents in the Soil and Leafy Vegetables Collected From Al-Qanat Highway/ Baghdad City
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      The aim of the present study is to estimate the levels of some essential and non-essential metals content of soil and seven leafy vegetable species, in the field 30m away from the Al-Qanat highway in Baghdad using X-ray fluorescence analysis. The results showed that soil and leafy vegetables had higher levels of macro elements, and that Ca in rocket and purslane was the highest. The average content of trace elements in soil and leafy vegetables has been close to the minimum than the range of permissible limits recommended by WHO and FAO/WHO except Fe, Cr and Ni in soil have exceeded the concentration of the threshold limit (13728.8 mg/kg Dw for Fe, 183.361mg/kg Dw for Cr, and 124.01mg/kg Dw for Ni) value as well for leafy vege

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Publication Date
Sun Jun 05 2016
Journal Name
Baghdad Science Journal
Complexes of Some Transition Metal with 2-Benzoyl thiobenzimidazole and 1,10-Phenanthroline and Studying their Antibacterial Activity
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Mixed ligands of 2-benzoyl Thiobenzimiazole (L1) with 1,10-phenanthroline (L2) complexes of Cr(III) , Ni(II) and Cu(II) ions were prepared. The ligand and the complexes were isolated and characterized in solid state by using FT-IR, UV-Vis spectroscopy, 1H, 13C-NMR, flame atomic absorption, elemental micro analysis C.H.N.S, magnetic susceptibility , melting points and conductivity measurements. 2-Benzoyl thiobenzimiazole behaves as bidenetate through oxygen atom of carbonyl group and nitrogen atom of imine group. From the analyses Octahedral geometry was suggested for all prepared complexes. A theoretical treatment of ligands and their metal complexes in gas phase were studied using HyperChem-8 program, moreover, ligands in gas phase

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Publication Date
Sat Dec 30 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis a nd Characterization of Some New Transition Metal Complexes of Amino Thiadiazole
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New complcxcof        Cu (ll),Ni(ll)  ,Co(ll),  and Zn(ll)  wi th 2- amino-5-p-Fiouro Phenyl 1,3,4-Thiadiazole  have been synthesized  . The  products  were isolated , studied  and characterized by physical measurements, i.e., (Ff -IR) ,UV-Vis and  the melting points were determined .The new Schiff base (L) has been used to prepare some complexes  .The   prepared  complexes  were   identified  and   their tructural geometry were suggested.

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Publication Date
Tue Sep 30 2014
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Study the Feasibility of Alumina for the Adsorption of Metal Ions from Water
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The present work describes the adsorption of Ba2+ and Mg2+ions from aqueous solutions by activated alumina in single and binary system using batch adsorption. The effect of different parameters such as amount of alumina, concentration of metal ions, pH of solution, contact time and agitation speed on the adsorption process was studied. The optimum adsorbent dosage was found to be 0.5 g and 1.5 g for removal of Ba2+ and Mg2+, respectively. The optimum pH, contact time and agitation speed, were found to be pH 6, 2h and 300 rpm, respectively, for removal of both metal ions. The equilibrium data were analyzed by Langmuir and Freundlich isotherm models and the data fitted well to both isotherm modes as indicated by higher correlation of deter

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Publication Date
Sun Mar 05 2017
Journal Name
Baghdad Science Journal
An efficient of Sansevieriatrifasciataplantas biosorbent for the treatment of metal contaminated industrial effluents
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Sansevieriatrifasciata was studied as a potential biosorbent for chromium, copper and nickel removal in batch process from electroplating and tannery effluents. Different parameters influencing the biosorption process such as pH, contact time, and amount of biosorbent were optimized while using the 80 mm sized particles of the biosorbent. As high as 91.3 % Ni and 92.7 % Cu were removed at pH of 6 and 4.5 respectively, while optimum Cr removal of 91.34 % from electroplating and 94.6 % from tannery effluents was found at pH 6.0 and 4.0 respectively. Pseudo second order model was found to best fit the kinetic data for all the metals as evidenced by their greater R2 values. FTIR characterization of biosorbent revealed the presence of carboxyl a

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Publication Date
Mon Sep 11 2006
Journal Name
Ibn Al-haitham Journal For Pure And Applied Science
Synthesis a nd Characterization of Some New Transition Metal Complexes of Amino Thiadiazole
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New complexes of Cu (ll), Ni (ll), Co (ll), and Zn (ll) wi th 2-amino-5-p-Fiouro Phenyl 1, 3, 4-Thiadiazole have been synthesized. The products were isolated, studied and characterized by physical measurements, ie,(Ff-IR), UV-Vis and the melting points were determined. The new Schiff base (L) has been used to prepare some complexes. The prepared complexes were identified and their structural geometry were suggested