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Electron Transfer At Metal/Molecule Interface
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   Theoretically description of the electron transfer of the electron transfer of met/mol has been investigated in this work according to the quantum theory. By using a model that is derived depending on the first order perturbation theory, the rate constant at met/mol interface can be calculated with the calculated reorganization energy. The reorganization energy that is evaluated according to the outer sphere model is based on the electstatistics potential of the molecular donor and acceptor. The molecular parameters introduced in this model are the molecular weight, mass, density, and radius of molecule have been evaluated according to the apparent molar volume using spherical approach.       The theoretical results are obtained according to our model of rate constant for electron transfer, a corresponding with the experimental data for some qualilative metal/molecule interface some qualitative of the experimental studies .  
 

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Publication Date
Fri Dec 29 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Syntesis and Characterization of Complexes Anthranilic Acid With Some Metal Ions
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The  research includes attempts to prepare anthranil ic acid (C7H7N02) complexes  with some metals: [Pd (II), Fe(ll), and  Fe (Ill))  which have been characterized by using:

Thermal stability (melti ng point, d composition poit), molar conductivity, IR,   UV-visible   spectra,   elemental   analysis   (C-H-N)   and   magnetic properties.  The   general  formula   has   been  given for  the   prepared complexes:-

- M(C2H6N02)2 Where M= [Pd(ll), Fe(TI), Hg(ll)]

 

:.. M(C1H6N02)l Where  M= [Fe(llf)]

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Publication Date
Wed Dec 01 2021
Journal Name
Chinese Journal Of Physics
Investigation of the thermoelectric properties of one-layer transition metal dichalcogenides
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priorities of materials research due to their promising properties, especially in the field of thermoelectricity. The efficiency or performance of thermoelectric devices is expressed in terms of the thermoelectric figure-of-merit (ZT) – a standard indicator of a material’s thermoelectric properties for use in cooling systems. The evaluation of ZT is principally determined by the thermoelectric characteristics of the nanomaterials. In this paper, a set of investigative computations was performed to study the thermoelectric properties of monolayer TMDCs according to the semiclassical treatment of the Boltzmann transport equation. It was confirmed that the thermoelectric properties of 2D materials can be greatly improved compared with thei

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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Interactions of some metal ions with Nitrogenous bases present in Nucleotides
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Acidity constants at 30co and 0.125 ionic strength have been determined for the Nitrogous bases of nucleic acid; cytocine, uarcil and thymine, and found to be 3.55 x10-19 , 1.44 x10 -19 and 7.24 x10 -20 respectively. Stability constants of these bases with Thorium and uranyl ions have been determined. Results showed that metal ions Thorium and uranyl ions behave as hard acids and the nitrogenum bases behave as Hard bases according to Pearson's definition .Hardness – softness parameters for these ligands were calculated ,stability constants of complexes with metal ions could be arranged as follows :- Cytosine > Uracil > Thymine .

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Publication Date
Wed Jun 01 2022
Journal Name
Baghdad Science Journal
Syntheses, Structures and Biological Activity of Some Schiff Base Metal Complexes
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Four new binuclear Schiff base metal complexes [(MCl2)2L] {M = Fe 1, Co 2, Cu 3, Sn 4, L = N,N’-1,4-Phenylenebis (methanylylidene) bis (ethane-1,2-diamine)} have been synthesized using direct reaction between proligand (L) and the corresponding metal chloride (FeCl2, CoCl2, CuCl2 and SnCl2). The structures of the complexes have been conclusively determined by a set of spectroscopic techniques (FT-IR, 1H-NMR, and mass spectra). Finally, the biological properties of the complexes have been investigated with a comparative approach against different species of bacteria (E. coli G-, Pseudomonas G-, Bacillus G+,

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Publication Date
Fri Dec 01 2023
Journal Name
Iraqi Journal Of Physics
Characterization and Photovoltaic Effect of (Sb2O3: Metal Oxides)/ C-Si Heterojunctions
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This work concerns the synthesis of two types of composites based on antimony oxide named (Sb2O3):(WO3, In2O3). Thin films were fabricated using pulsed laser deposition. The compositional analysis was explored using Fourier transform infrared spectrum (FTIR), which confirms the existence of antimony, tungsten, and indium oxides in the prepared samples. The hall effect measurement showed that antimony oxide nanostructure thin films are p-type and gradually converted to n-type by the addition of tungsten oxide, while they are converted almost instantly to n-type by the addition of indium oxide. Different heterojunction solar cells were prepared from (Sb2O3:WO

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Publication Date
Mon Aug 29 2022
Journal Name
Journal Of Inorganic And Organometallic Polymers And Materials
The Recent Advances of Metal–Organic Frameworks in Electric Vehicle Batteries
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High-power density supercapacitors and high-energy–density batteries have gotten a lot of interest since they are critical for the power supply of future electric cars, portable electronic gadgets, unmanned aircraft, and so on. The electrode materials used in supercapacitors and batteries have a significant impact on the practical energy and power density. Metal–organic frameworks (MOFs) have the outstanding electrochemical ability because of their ultrahigh porous structure, ease of functionalization, and great specific surface area. These features make it an intriguing electrode material with good electrochemical efficiency for high-storage batteries. Thus, this review summarizes current developments in MOFs-based materials as an elec

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Publication Date
Fri Dec 30 2022
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Mathematical Modeling and Kinetics of Removing Metal Ions from Industrial Wastewater
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The study's objective is to produce Nano Graphene Oxide (GO) before using it for batch adsorption to remove heavy metals (Cadmium Cd+2, Nickel Ni+2, and Vanadium V+5) ions from industrial wastewater. The temperature effect (20-50) °C and initial concentration effect (100-800) mg L-1 on the adsorption process were studied. A simulation aqueous solution of the ions was used to identify the adsorption isotherms, and after the experimental data was collected, the sorption process was studied kinetically and thermodynamically. The Langmuir, Freundlich, and Temkin isotherm models were used to fit the data. The results showed that Cd, Ni, and V ions on the GO adsorbing surface matched the Langmuir mo

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Publication Date
Sat Oct 01 2011
Journal Name
Journal Of Engineering
THE EFFECT OF SPACE VOLUME ON FREE CONVECTION HEAT TRANSFER FOR ONGITUDINAL FINNED CYLINDER WITH DIFFERENT SLOPE NGLES
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This study deals with free convection heat transfer for the outer surface of two
cylinders of the shape of (Triangular & Rectangular fined cylinders with 8-fins),
putted into two different spaces; small one with dimension of (Length=1.2m,
height=1m, width=0.9m) and large one with dimension of (Length=3.6m, height =3m,
width=2.7m). The experimental work was conducted with air as a heat transport
medium. These cylinders were fixed at different slope angles (0o, 30o, 60o and 90o)
.The heat fluxes were (279, 1012, 1958, 3005, 4419) W/m2, where heat transferred by
convection and radiation. In large space, the results show that the heat transfer from
the triangular finned cylinder is maximum at a slope angle equals

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Publication Date
Sun Sep 01 2013
Journal Name
Baghdad Science Journal
Some new transition metal complexes of bis (2-methyl furfuraldene)-4,4`-methylene bis (cyclohexylamine) ligand
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New Fe(II),Co(II),Ni(II),Cu(II) and Zn(II) Schiff base complexes which have the molar ratio 2:1 metal to ligand of the general formula [M2( L) X4] (where L=bis(2-methyl furfuraldene)-4-4`-methylene bis(cyclo-hexylamine) ) were prepared by the reaction of the metal salts with the ligand of Schiff base derived from the condensation of 2:1 molar ratio of 2-acetyl furan and 4-4`-methylene bis (cyclohexylamine). The complexes were characterized by elemental analysis using atomic absorption spectrophotometer ,molar conductance measurements, infrared, electronic spectra,and magnetic susceptibility measurement. These studies revealed binuclear omplexes. The metal(II) ion in these complexes have four coordination sites giving the most ex

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Publication Date
Fri Apr 21 2023
Journal Name
Chemical Methodologies
Spectroscopic and Antimicrobial Studies of Some Metal Complexes of Furfural Schiff Base Derivative Ligand
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A new furfural Schiff base derivative ligand (L-FSB) named N-(4- Bromo-2-methylphenyl)-1-(furan-2-yl)methanimine, was synthesized from the condensation reaction of furfural (fur) with 4-Bromo-2- methylaniline (bma) in 1:1molar ratio. A new series of VO(II), Cr(III), Mn(II), Co(II), Ni(II), Cu(II), Zn(II), and Cd(II) metal complexes are synthesized according to the metal content analysis in an 2:1 ligand:metal ratio. The stereochemistry of the ligand complexes have been deduced by Fourier Transform-Infra Red (FT-IR), Atomic Adsorption (A.A), Ultra violate-Visible Spectra (UV-Vis Spectra), (Mass Spectra, Proton,13Carbon-Nuclear Magnetic Resonance) (1H-NMR,13CNMR) for ligand), magnetic susceptibility at 25oC and conductivity measurements. Fr

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