Density Functional Theory (DFT) with B3LYP hybrid exchange-correlation functional and 3-21G basis set and semi-empirical methods (PM3) were used to calculate the energies (total energy, binding energy (Eb), molecular orbital energy (EHOMO-ELUMO), heat of formation (?Hf)) and vibrational spectra for some Tellurium (IV) compounds containing cycloctadienyl group which can use as ligands with some transition metals or essential metals of periodic table at optimized geometrical structures.
This article includes designed and synthesized for bent-shaped liquid crystal molecules starting from 5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione and two moles of chloroacetylchloride in N, N-dimethyl formamide (DMF) and triethylamine (TEA) to product compound [I] ,then reacted the later compound with two moles of 4-hydroxybenzonitrile to yield nitrile compound [II]. Likewise, reaction 5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione and two moles of ethylchloroacetate with fused sodium acetate in ethanol to create an ester compound [III], and then the later compound was reacted with two moles of hydrazine hydrate in ethanol to obtained hydrazide acid compound [IV]. After that, the compound [IV] reacted with two moles of ethyl acetoacetate in
... Show MoreThin films of Zinc Selenide ZnSe have been prepared by using thermal evaporation in vacuum technique (10-5Torr) with thickness (1000, 2700, 4000) A0 and change electrode material and deposited on glass substrates with temperature (373K) and study some electrical properties at this temperature . The graphs shows linear relation between current and voltage and the results have shown increases in the value of current and electrical conductivity with increase thickness and change electrode material from Aluminum to Copper
Through this study, the following has been proven, if is an algebraically paranormal operator acting on separable Hilbert space, then satisfies the ( ) property and is also satisfies the ( ) property for all . These results are also achieved for ( ) property. In addition, we prove that for a polaroid operator with finite ascent then after the property ( ) holds for for all.
Eight soil samples were selected around Najaf governorate at depth levels 40-50 cm. X-Ray Fluorescence (XRF) was used to determine the concentrations of major and trace elements. Liner and mass attenuation coefï¬cient (µ, µÏ) have been determined at gamma energies (662, 1172,1332) keV using NaI (Tl) detector. The range of linear attenuation coefficients for calculated samples were (0.553-1.163) cm-1, (0.122-0.178) cm-1 and (0.049-0.105) cm-1 at (662, 1172,1332) keV respectively. The range of mass attenuation coefficients obtained (0.39-0.76) cm2/gm, (0.087-0.117) cm2/gm and (0.0336-0.074) cm2/gm at (662, 1172,1332) keV respectively. The result
... Show MoreThrough this study, the following has been proven, if is an algebraically paranormal operator acting on separable Hilbert space, then satisfies the ( ) property and is also satisfies the ( ) property for all . These results are also achieved for ( ) property.
In addition, we prove that for a polaroid operator with finite ascent then after the property ( ) holds for for all .
GaN thin films were deposited by thermal evaporation onto
glass substrates at substrate temperature of 403 K and a thickness of
385 nm . GaN films have amorphous structure as shown in X-ray
diffraction pattern . From absorbance data within the range ( 200-
900 ) nm direct optical energy gap was calculated . Also the others
optical parameters like transmittance T, reflectance R , refractive
index n , extinction coefficient k , real dielectric constant 1 Î , and
imaginary dielectric constant 2 Î were determined . GaN films
have good absorbance and minimum transmittance in the region of
the visible light .
The change in the optical properties for samples of pure PVA and PVA /K2CrO4composite have been studied .The samples were prepared with different percentage (1,3,5,and 7)%wt of K2CrO4 by casting method technique .In this work ,we are study the absorption ,reflectance spectra ,absorption coefficient, energy gap ,extinction coefficient ,and transmittance spectra as a function of wavelength range (200-800)nm ,Also real and imaginary part of dielectric constant have been studied in the range of wave length .The results exhibit the optical properties change by the increase of K2CrO4 concentration, and the values of energy gap for indirect transitions decrease by the increase of the concentration of K2CrO4
... Show MoreCadmium Oxide thin films were deposited on glass substrate by spray pyrolysis technique at different temperatures (300,350,400, 500)oC. The optical properties of the films were studied in this work. The optical band-gap was determined from absorption spectra, it was found that the optical band-gap was within the range of (2.5-2.56)eV also width of localized states and another optical properties.
High Alumina Glasses "Alumina Silicate Glasses" was prepared by utilizing powder technology technique. The starting materials are wasted soda-lime glass from an industrial site, Iraqi Duekhla raw kaolin and small amounts of potassium carbonates.
X-ray Diffraction and FTIR analysis show complete vitreous glasses are obtained. Increasing Alumina content plays an obvious role in improving physical and mechanical properties of the prepared high alumina glass. In addition, the increased alumina content enhanced the dielectric constant and reduced dielectric loss. These results may be interpreted as du
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