Electron transfer (ET) reactions represent an elementary chemical process which occurs in a large variety of molecules, ranging from small ion pairs up to large biological system. A theoretical study of photo – induced electron transfer between Ruthenium (II) tirs -( 2,2 ï‚¢- bipyrdine ) Ru(bpy)  2 3 and Methyl Viologen MV2+ in a variety of Solvents at room temperature is presented . This study is based on an optical activation by the absorption of light .The Solvent is described by a dielectric continuum model, and the transferring is represented by a quantum mechanical wave function . In this application, the reorganization energy ï¬ , the driving free energy ï¯ Gï„ , and the activation free energy G ï„ â€¡ are calculated with semi classical model . The electronic coupling for the electron transfer DA V reaction is taken from Mulliken –Hush method, and the rate of electron transfer KET in   ï€ 2 2 3( ) Ru bpy MV system are calculated with a quantum mechanical model. Our calculation results for the electron transfer in   ï€ 2 2 3( ) Ru bpy MV system show a good agreement with the experimentally observed results .
A new mixed ligand complexes were prepared by reaction of quinoline -2-carboxylic acid (L1) and 4,4?dimethyl-2,2?-bipyridyl (L2) with V(IV),Cr(III), Rh(III), Cd(II) and Pt(IV) ions. These complexes were isolated and characterized by (FT-IR) and (UV-Vis) spectroscopy, elemental analysis, flame atomic absorption technique, thermogravimetric analysis, in addition to magnetic susceptibility and conductivity measurements. Most complexes were mononuclear and with octahedral geometry, except Cd (II) with tetrahedral geometry, and V (IV) with square pyramidal geometry. A theoretical treatment of the ligands and the prepared complexes in gas phase was done using two programs Hyperchem.8 and Gaussian program (GaussView Currently Available Versions (
... Show MoreIn this work, electron number density calculated using Matlab program code with the writing algorithm of the program. Electron density was calculated using Anisimov model in a vacuum environment. The effect of spatial coordinates on the electron density was investigated in this study. It was found that the Z axis distance direction affects the electron number density (ne). There are many processes such as excitation; ionization and recombination within the plasma that possible affect the density of electrons. The results show that as Z axis distance increases electron number density decreases because of the recombination of electrons and ions at large distances from the target and the loss of thermal energy of the electrons in high distance
... Show MoreIn this work, electron number density calculated using Matlab program code with the writing algorithm of the program. Electron density was calculated using Anisimov model in a vacuum environment. The effect of spatial coordinates on the electron density was investigated in this study. It was found that the Z axis distance direction affects the electron number density (ne). There are many processes such as excitation; ionization and recombination within the plasma that possible affect the density of electrons. The results show that as Z axis distance increases electron number density decreases because of the recombination of electrons and ions at large distances from the target and the loss of thermal energy of the electrons in
... Show MoreCharge-transfer (CT) complexes of adenine (Ade.), guanine (Gua.), xanthine (Xan.), and inosine (Ino.) as electron donors with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ), 2,3,5,6-tetrabromo-1,4-benzoquinone (Bromanil)(BA) as π – electron acceptors and iodine (Iod.) as σ – electron acceptor were studied and their electronic spectra recorded .In each case one (CT) band was observed and recorded. These spectroscopic investigations made in ethanol solvent at (20°C) temperature. The values of equilibrium constant (KCT), change in standard free energy (ΔG°), molar extinction coefficient (εCT(, absorption band energy (hνCT) of CT complexes and the association energy of the CT complexes-excited state (W) were calculated and studie
... Show MoreThis paper consist some new generalizations of some definitions such: j-ω-closure converge to a point, j-ω-closure directed toward a set, almost j-ω-converges to a set, almost j-ω-cluster point, a set j-ω-H-closed relative, j-ω-closure continuous mappings, j-ω-weakly continuous mappings, j-ω-compact mappings, j-ω-rigid a set, almost j-ω-closed mappings and j-ω-perfect mappings. Also, we prove several results concerning it, where j Î{q, δ,a, pre, b, b}.
In this paper, The transfer function model in the time series was estimated using different methods, including parametric Represented by the method of the Conditional Likelihood Function, as well as the use of abilities nonparametric are in two methods local linear regression and cubic smoothing spline method, This research aims to compare those capabilities with the nonlinear transfer function model by using the style of simulation and the study of two models as output variable and one model as input variable in addition t
... Show MoreWe can summarize the main risk factors for type 2 diabetes mellitus (T2DM) by looking at our nutrition, age, and lifestyle. β-cell dysfunction and insulin resistance (IR) are outcomes of the pathophysiology of type 2 diabetes. As an indirect result of IR on important metabolic enzymes, lipid and lipoprotein abnormalities are also a factor in T2DM patients. Recent research has indicated that lipid fluctuation may be the cause of poor glucose metabolism as well as one of its effects. Fatty acids (FAs) affect cell membrane fluidity and permeability, insulin receptor binding and signaling, and the translocation of glucose transporters. Therefore, it is suggested that FAs might play a crucial part in the emergence of IR and T2DM. The cu
... Show MoreIn this paper, a new class of sets, namely ï¡- semi-regular closed sets is introduced and studied for topological spaces. This class properly contains the class of semi-ï¡-closed sets and is property contained in the class of pre-semi-closed sets. Also, we introduce and study ï¡srcontinuity and ï¡sr-irresoleteness. We showed that ï¡sr-continuity falls strictly in between semi-ï¡- continuity and pre-semi-continuity.
In this paper, we introduce weak and strong forms of ω-perfect mappings, namely the ï±-ω-perfect, weakly ï±-ω-perfect and stronglyï±-ω-perfect mappings. Also, we investigate the fundamental properties of these mappings. Finally, we focused on studying the relationship between weakly ï±-ω-perfect and stronglyï± -ω-perfect mappings.
The rate of electron transfer from N3 sensitized by dye to TiO2 semiconductor in variety solvent have been calculated as a function of reorientation energy effective free energy , volume of semiconductor , attenuation and lattice constant of semiconductor . A very strong dependence of the electron transfer rate constant on the reorientation and effective free energy .Results of calculation indicate that TiO2 is available to use with N3 dye .Our calculation results show that a good agreement with experimental result