The reaction paths of the C-C and C-H bond cleavage in the anthracene and phenanthrene aromatic molecules are studied by applying the ab-initio DFT method. It is found that the C-C bond cleavage proceeds via a singlet aromatic transition state, compelled through a disrotatoric ring opening reaction. A suprafacial H atom shift follows the transition state, leading to the formation of a methylene -CH2 and an acetylenic or allenic moiety. The calculated activation energies for anthracene range from 158.81-208.90 kcal/mol and the reaction energies from 96.106-156.976 kcal/mol. For phenanthrene, the energy values are 157.39-202.34 kcal/mol and 62.639-182.423 kcal/mol, respectively. For the C-H cleavage reactions, the calculated reaction energies for all C-H bonds in both molecules are almost similar, 116-117 kcal/mol. The activation energy values for anthracene and phenanthreneare 149.75-161.27 and 161.24-163.00 kcal/mol, respectively.
Quadrupole transition rates and effective charges are calculated for even-even Si,
S and Ar isotopes based on sd and sdpf -shell model spaces. Shell model
calculations are performed with sd shell-model space for neutron number (N) ≤ 20
and sdpf shell-model space for N > 20. Excitation out of major shell space are taken
into account through a microscopic theory which allows particle-hole excitation
from the core and model space orbits to all higher orbits with 2 excitation.
Effective charges are obtained for each isotope. The results show a systematic
increase in the B(E2) values for N 20. Shell model calculation predicts the erosion
of the N=28 magicity in the neutron rich 42Si. No clear indications abo
Introduction: We aimed to assess the impact of adhesive and wires types on the tensile bond strength of fixed lingual retainers. Methods: A total of 160 intact bovine teeth were collected, cleaned, stored in 25% sodium hypochlorite, and randomly assigned to two groups based on the adhesive type: a two-step adhesive and a one-step adhesive. Each group was further divided into four subgroups based on the type of lingual retainer wire, which included (A) 8-strand braided stainless steel wire, (B) three-strand titanium retainer wire, (C) stainless steel chain, and (D) fiber-reinforced retainer. A tensile bond strength test was conducted using a universal testing machine at a controlled speed of 10 mm/min. Result: The 8-strand braided stainles
... Show MoreA simple, sensitive, accurate and low cost effective spectrophotometric method has been developed for the determination of Tetracycline and Doxycycline in pure and pharmaceutical formulations. The method is based on the reaction of methyldopa with 4-aminoantipyren (4-AAP) in presence of potassium ferriecyanide (PFC) in an alkaline medium. Two optimization methods were applied to determine the optimum conditions of oxidizing coupling reaction variables; univariate and design of experiment (DOE) method. The conditions effecting the reaction; pH, buffer Volume, reagent concentration, oxidant concentration, type of buffer, order of addition, time of reaction and stability were optimized . Under univariate and design
... Show MoreThis paper discusses using H2 and H∞ robust control approaches for designing control systems. These approaches are applied to elementary control system designs, and their respective implementation and pros and cons are introduced. The H∞ control synthesis mainly enforces closed-loop stability, covering some physical constraints and limitations. While noise rejection and disturbance attenuation are more naturally expressed in performance optimization, which can represent the H2 control synthesis problem. The paper also applies these two methodologies to multi-plant systems to study the stability and performance of the designed controllers. Simulation results show that the H2 controller tracks a desirable cl
... Show MoreThe reactions of ozone with 2,3-Dimethyl-2-Butene (CH3)2C=C(CH3)2 and 1,3-Butadiene CH2=CHCH=CH2 have been investigated under atmospheric conditions at 298±3K in air using both relative and absolute rate techniques, and the measured rate coefficients are found to be in good agreement in both techniques used. The obtained results show the addition of ozone to the double bond in these compounds and how it acts as function of the methyl group substituent situated on the double bond. The yields of all the main products have been determined using FTIR and GC-FID and the product studies of these reactions establish a very good idea for the decomposition pathways for the primary formed compounds (ozonides) and give a good information for the effe
... Show MoreThe effect of multiple scattering on the detected γ-photons at the surface of Hyakutake comet, which emitted from the radioisotope 137Cs were studied and compared the results with the single scattering case. Also the multiple scattering results were gathered with the single scattering case and investigate the effect. The calculations were conducted to analyze the variation of counts rate with source detector separation and the source of energy. Monte Carlo (MC) method was used to simulate the scattering and absorption of photons in semi-infinite material by developing the program in FORTRAN language (77 - 90) for this purpose. The distance between the source and the detector takes values of 1, 2,….5 cm, the results showed that single
... Show MoreNew metal complexes of some transition metal ions Co(II), Cu(II) , Cd(II) and Zn(II) were prepared by their reaction with previously prepared ligands HLI= (P-methyl anilino) phenyl acetonitrile and HLII = (P-methyl anilino) –P– chloro phenyl acetonitrile . The two ligands were prepared by Strecker’s procedure which includ the reaction of p- toluidine with benzaldehyde and P- chlorobenzaldehyde respectively. Structures were proposed depending on atomic absorption , i.r. and u.v.visible spectra in addition to magnetic susceptibility and electrical conductivity measurements.
Four novel Schiff bases SB1 to SB4 as new aromatic compound not hydrolysed under ordinary conditions were synthesized in this study by condensation reactions between2,4dinitrophenylhydrazine: firstly with 2,4,4`-trihydroxybenzophenone to give SB1, secondly with 4hydroxybenzophenone to give SB2, thirdly with 4-dimethylaminobenzaldhyde to give SB3 and fourthly with 4-aminobenzaldehyde to give SB4. The molecular structures of these aromatic Schiff bases obtained were identified and characterized based on melting points, elemental analysis(CHN), FT-IR and UV-Visible spectra. The electronic absorption spectra of Schiff bases obtained were studied in the solvents of ethanol, DMF, water, chloroform, carbon tetrachloride and cyclohe
... Show MoreIn the present study, we have reported investigations on the effect of simultaneous substitution of Tl at the Hg site in the oxygen deficient HgOδ layer of Hg1-xTlxBa2Ca2Cu3O8+ δ cuprate superconductor. Bulk polycrystalline samples were prepared by the two-step solid state reaction process. It was observed that the grown Hg1-xTlxBa2Ca2Cu3O8+ δ corresponds to the 1223 phase. Electrical resistivity, using four probe technique, is used to find the transition temperature Tc. The highest Tc(0ffset) were 108, 102,113, 118, 125 and 121K for Hg1xTlxBa2Ca2Cu3O8+ δ with x = 0.0, 0.05, 0.10, 0.15, 0.20 and 0.25 respectively. The optimum Tc(off) of ~ 125 K and Tc(onset) ~ 136K was fo
... Show MoreThe new, standard molecular biologic system for duplicating DNA enzymatically devoid of employing a living organism, like E. coli or yeast, represents polymerases chain reaction (PCR). This technology allows an exponential intensification of a minor quantity of DNA molecule several times. Analysis can be straightforward with more DNA available.
A thermal heat cycler performs a polymerization chain reaction that involves repeated cycles of heating and cooling the reactant tubes at the desired temperature for each reaction step. A heated deck is positioned on the upper reaction tube to avoid evaporating the reaction mixture (normally volumes range from 15 to 100 l per tube), or an oil layer can be placed on a reaction mixture surfa
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