This work involves theoretical and experimental studies for seven compounds to calculate the electrons spectrum and NLO properties. The theoretical study is done by employing the Time Depending Density Functional Theory TD-DFT and B3LYP/high basis set 6-311++G (2d,2p), using Gaussian program 09. Experimental study by UV/VIS spectrophotometer device to prove the theoretical study. Theoretical and experimental results were applicable in spectrum and energy gap values, in addition to convergence theoretically the energy gap results from ΔEHOMO-LUMO and UV/VIS. spectrum. Consider the theoretical method very appropriate to compounds that absorb in vacuum UV.
Internal conversion coefficients (ICC) and electron–positron pair conversion coefficients (PCC) for multipole transition of the core nucleus 88Sr have been calculated theoretically. The calculation is based on the relativistic Dirac–Fock (DF) solutions using the so called ‘‘Frozen Orbital’’ approximation, takes into account the effect of atomic vacancies created in the conversion process, covering a transition energies of 1–5000 keV. A large number of points were used to minimize any errors due to mesh-size effects. The internal conversion coefficients display a smooth monotonic dependence on transition energy, multipolarity and atomic shell. Comparing the values of PCC to ICC, it is interesting to note, that the energy dep
... Show MoreThis thesis aims to study the effect of addition polymer materials on mechanical properties of self-compacting concrete, and also to assess the influence of petroleum products (kerosene and gas oil) on mechanical properties of polymer modified self-compacting concrete (PMSCC) after different exposure periods of (30 ,60 ,90 ,and 180 days).
Two type of curing are used; 28 days in water for SCC and 2 days in water followed 26 days in air for PMSCC.
The test results show that the PMSCC (15% P/C ratio) which is exposed to oil products recorded a lower deterioration in compressive strength's values than reference concrete. The percentages of reduction in compressive strength values of PMSCC (15% P/C ratio) was
... Show MoreThe behavior corrosion inhibition of aluminum alloy (Al6061) in acidic (0.1 M HCl) and saline (3.5% NaCl) solutions was investigated in the absence and the presence of expired diclofenac sodium drug (DSD) as a corrosion inhibitor. The influence of temperature and was studied using electrochemical techniques. In addition, scanning electron microscopy (SEM) was used to study the surface morphology. The results showed that DSD acted as a powerful inhibitor in acidic solutions, while a moderate influence was observed with saline one. Maximum inhibition efficiency was 99.99 and 83.32% in acidic and saline solutions at 150 ppm of DSD, respectively. Corrosion current density that obtained using electrochemical technique was increased with temperat
... Show MoreThis study was aimed to conduct one of the vertical garden systems , selecting suitable plant species that with stand the climate conditions of Baghdad city in outer space to determine the appropriate growing medium for the (LWS), and to assess the impact of spraying with potassium silicate on the resistance of the cultivated plants to heat stresses . The study carried out at at Al-Batool Park of (Al-Kadhimiya Holy City). Two experiments were carried out, each one with a different plant species, including Wedelia trilobata and Tradescantia pallida, during the winter season of 2021 and summer season of 2022. The experiments were designed using a split block design. The experiments included two factors, the first being the growing med
... Show MoreThis study delves into the design optimization of a hydropower harvesting system, exploring various parameters and their influence on system performance. By modifying the variables within the model to suit different flow conditions, a judiciously optimized design is attainable. Notably, the lift force generated is found to be intricately linked to the strategic interplay of the bluff body's location, cylinder dimensions, and flow velocity. The findings culminate in the establishment of empirical equations, one for lift force and another for displacement, based on the force equation. Many energy harvesting approaches hinge on the reciprocating motion inherent to the structural system. The methodology developed in this study emerges as a pot
... Show MoreThis paper concerns is the preparation and characterization of a bidentate ligand [4-(5,5- dimethyl-3-oxocyclohex-1-enylamino)-N-(5-methylisoxazol-3-yl) benzene sulfonamide]. The ligand was prepared from fusing of sulfamethoxazole and dimedone at (140) ºC for half hour. The complex was prepared by refluxing the ligand with a bivalent cobalt ion using ethanol as a solvent. The prepared ligand and complex were identified using Spectroscopic methods. The proposed tetrahedral geometry around the metal ions studied were concluded from these measurements. Both molar ratio and continuous variation method were studied to determine metal to ligand ratio (M:L). The M to L ratio was found to be (1:1). The adsorption of cobalt complex was carried out
... Show MoreA new ligand complexes have been synthesis from reaction of metal ions of MnII , CoII , NiII , CuII , ZnII , CdII and PdII with schiff base [(E)-1-((2-amino-5-(3, 4, 5-trimethoxybenzyl) pyrimidin-4-ylimino) methyl) naphthalen-2-ol [HL)]. The prepared [HL] was characterized by FT-IR, UV-Vis spectroscopy, 1H13CNMR spectra Mass spectra and melting point. The compounds were characterized by techniques UV-Vis and FT-IR spectral studies, micro analysis (C.H.N), determination of atomic absorption, chloride content, molar conductivity measurements, magnetic susceptibility and melting point. The ligand acts as a monobasic tridentate, coordinating through deprotonated phenolic O and azomethine N atoms. The compounds are neutral electrolytic in dimeth
... Show MoreNew complexes have been prepared from the new ligand [N1,N5-bis(3-hydroxyphenyl)-2- oxopentanediamide] derived from 2-Oxoglutaric acid and 3-aminophenol. Accordingly its binudear Mn(II),Co(II),Ni(II),Pd(II) and VO(II) complexes were prepared.. These compounds have been characterized by FT-IR, UV-Vis,Mass, 1H-NMR spectra, TGA curve, Chloride containing ,Molar conductance and atomic absorption. The characterization results gave binuclear complexes and pentadentate coordination and tetrahedral geometry for each Cobalt, Nickel, Manganese and Copper complexes otherwise Palladium complex gave a square planar geometry and Vanadium complex gave a square pyramidal geometry and the ligand is tetradentate. The biological activities for the new compoun
... Show MoreIn this article, new Schiff base ligand LH-prepared Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Hg(II), Pd(II), and Pt(II) materials were analyzed using spectroscopy (1 Metal: 2 LH). The ligand was identified using techniques such as FTIR, UV-vis, 1H-13C-NMR, and mass spectra, and their complexes were identified using CHN microanalysis, UV-vis and FTIR spectral studies, atomic absorption, chloride content, molar conductivity measurements, and magnetic susceptibility. According to the measurements, the ligand was bound to the divalent metal ions as a bidentate through oxygen and nitrogen atoms. The complexes that were created had microbicide activity against two different bacterial species and one type of fungus. DPPH techniques were bei
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