The reaction of diethylcarbamic chloride (one mole equivalent), ammonium thiocyanate (two mole equivalents) and thiosemicarbazide (one mole equivalent) in an acetone medium resulted in the formation of the unexpected4,4-dimethyl-2,6-dithioxo-1,3,5-triazinan-1-yl)-3-(diethylaminocarbonyl)- thiourea3in 83% yield. The chemical structure of the title compound was confirmed by IR, NMR and elemental analysis. Further, a suggested mechanism has been proposed to illustrate the route for the formation of the title compound. In addition, theoretical evaluations of the stable geometries of compound3were carried out using semi-empirical molecular quantum calculations with the PM3 method.
The Mishrif Formation is one of the most important geological formations in Iraq consisting of limestone, marl, and shale layers since it is one of the main oil producing reservoirs in the country, which contain a significant portion of Iraq's oil reserves. The formation has been extensively explored and developed by the Iraqi government and international oil companies, with many oil fields being developed within it. The accurate evaluation of the Mishrif formation is key to the successful exploitation of this field. However, its geological complexity poses significant challenges for oil production, requiring advanced techniques to accurately evaluate its petrophysical properties.
This study used advanced well-logging analysi
... Show MoreComplexes of Co(II),Ni(II),Cu(II)and Zn(II) with mixed ligand of 4 tributylphosphine (PBu3) were prepared in aqueous ethanol with (1:2:2) (M:L:PBu3)The prepared
In this research, main types of optical coatings are presented which are used as covers for solar cells, these coatings are reflect the infrared (heat) from the solar cell to increase the efficiency of the cell (because the cell’s efficiency is inversely proportional to the heat), then the theoretical and mathematical description of these optical coatings are presented, and an optical design is designed to meet this objective, its optical transmittance was calculated using (MATLAB R2008a) and (Open Filters 1.0.2) programs
We present a simple model of charge transfer current through sensitizer N3 molecule contact to TiO2 and ZnO semiconductors to calculate the charge transfer current. The model underlying depends on the fundamental parameters of the charge transfer reaction and it is based on the quantum transition theory approach. A transition energy, driving energy and potential barrier have been taken into account charge transfer current at N3 / TiO2 and N3 / ZnO devices with wide polarity solvents Acetic acid, 2-Methoxyethanol, 1-Butanol, Methyl alcohol, chloroform, N,N-Dimethylacetamide and Ethyl alcohol via the quantum donor-acceptor system.The effects of the transition energy and potential barrier are computed and discussion on charge transfer current.
... Show More(3) (PDF) Theoretical investigation of charge transfer at N3 sensitized molecule dye contact with TiO2 and ZnO semiconductor. Available from: https://www.researchgate.net/publication/362773606_Theoretical_investigation_of_charge_transfer_at_N3_sensitized_molecule_dye_contact_with_TiO2_and_ZnO_semiconductor [accessed May 01 2023].
In this paper, the complexes of Shiff base of Methyl -6-[2-(diphenylmethylene)amino)-2-(4-hydroxyphenyl)acetamido]-2,2-dimethyl-5-oxo-1-thia-4-azabicyclo[3.2.0]heptane-3-carboxylate (L) with Cobalt(II), Nickel(II), Cupper(II) and Zinc(II) have been prepared. The compounds have been characterized by different means such as FT-IR, UV-Vis, magnetic moment, elemental microanalyses (C.H.N), atomic absorption, and molar conductance. It is obvious when looking at the spectral study that the overall complexes obtained as monomeric structure as well as the metals center moieties are two-coordinated with octahedral geometry excepting Co complexes that existed as a tetrahedral geometry. Hyper Chem-8.0.7
... Show MoreThe nuclear matter density distributions, elastic electron scattering charge formfactors and root-mean square (rms) proton, charge, neutron and matter radii arestudied for neutron-rich 6,8He and 19C nuclei and proton-rich 8B and 17Ne nuclei. Thelocal scale transformation (LST) are used to improve the performance radial wavefunction of harmonic-oscillator wave function in order to generate the long tailbehavior appeared in matter density distribution at high . A good agreement resultsare obtained for aforementioned quantities in the used model.