Both traditional and novel techniques were employed in this work for magnetic shielding evaluation to shed new light on the magnetic and aromaticity properties of benzene and 12 [n]paracyclophanes with n = 3–14. Density functional theory (DFT) with the B3LYP functional and all-electron Jorge-ATZP and x2c-TZVPPall-s basis sets was utilized for geometry optimization and magnetic shielding calculations, respectively. Additionally, the 6-311+G(d,p) basis set was incorporated for the purpose of comparing the magnetic shielding results. In addition to traditional evaluations such as NICS/NICSzz-Scan, and 2D-3D σiso(r)/σzz(r) maps, two new techniques were implemented: bendable grids (BGs) and cylindrical grids (CGs) of ghost atoms (Bqs). BGs allow for the recording of magnetic shielding from the bent ring levels of [n]pCPs, while CGs provide tubular magnetic shielding scan (TMSS) maps detailing the magnetic shielding from a cylindrical region above and below the ring frame. Our findings suggest that smaller [n]pCPs with n < 6 exhibit deviations in the magnetic shielding above and below the ring, indicating a broken electron delocalization under the ring. In contrast, larger [n]pCPs tend to behave similarly to benzene in terms of magnetic shielding. Moreover, we found that shorter polymethylene chains of [n]pCPs exhibit significantly higher magnetic shielding interactions with the ring. Both of the above techniques offer new and promising tools for characterizing nonplanar aromatic compounds, thereby contributing to a deeper understanding of their magnetic and electronic properties.
In this theoretical paper and depending on the optimization synthesis method for electron magnetic lenses a theoretical computational investigation was carried out to calculate the Resolving Power for the symmetrical double pole piece magnetic lenses, under the absence of magnetic saturation, operated by the mode of telescopic operation by using symmetrical magnetic field for some analytical functions well-known in electron optics such as Glaser’s Bell-shaped model, Grivet-Lenz model, Gaussian field model and Hyperbolic tangent field model. This work can be extended further by using the same or other models for asymmetrical or symmetrical axial magnetic field
... Show MoreA new chelate polymer (2-5-hydroxy-3-methyl-2- (3-nonyl benzene) imino) methyl) benzyl) 4-6-dimethyphenol] (K4) was prepared by using the condensation reaction method and identified by several techniques, including FT-IR, NMR, and atomic absorption spectroscopy, as well as TG-DTA thermal analysis. The kinetic equilibrium for the sorption of lead and cadmium ions on the chelate polymer surface was also investigated. The results showed that the sorption of both ions followed the pseudo-first-order and pseudo-second-order kinetic equilibrium. The rate constant values of pseudo-first-order reaction were equal to 0.062 and 0.057 min-1 , while the values of pseudo-second-order were 0.0103 and 0.053 L.m
... Show MoreIn this paper, the peristaltic flow under the impact of heat transfer, rotation and induced magnetic field of a two dimensional for the Bingham plastic fluid is discussed. The coupling among of momentum with rotational, energy and the induced magnetic field equations are achieved by the perturbation approximation method and the mathematica software to solve equations that are nonlinear partial differential equations. The fluid moves in an asymmetric channel, and assumption the long wavelength and low Reynolds number, approximation are used for deriving a solution of the flow. Expression of the axial velocity, temperature, pressure gradient, induced magnetic field, magnetic force, current density are developed the eff
... Show MoreOrtho amino hydrazobenzene (L) has been prepared from the reaction of ortho amino phenyl thiol with phenyl hyrazan in mole ratio(1:1). It has been characterized by elemental analysis (C, H, N), IR, UV–Vis. The complexes of the bivalent ions (Co, Ni, Cu, Zn, Pd, Cd, Hg and Pb) and the trivalent (Cr) have been prepared and characterized too. The structural have been established by elemental analysis(C,H,N), IR , UV – Vis spectra , conductivity measurements , atomic absorption and magnetic susceptibility . The complexes showed characteristic behaviour of octahedral geometry around the metal ion and the( N,N) ligand coordinated in bidentate modeexcept with pd showed square planer. ? ,kf , ?max for the complexes were estimated too . ? for Co
... Show MoreThe operating characteristics of optoelectronic devices depend critically on the properties physical of the constituent materials, interesting compound has been focused on this research formed from group III and V of the periodic table. Thin film n-InSb heterjuntion were successfully fabricated on p-Si substrates by thermal evaporation technique at different annealing temperature (as prepared, 400,500,600) °C. The effect of annealing temperature on the structural, surface morphology, optical and optoelectronic properties of InSb films were investigated and studied. The crystal structure of the film was characterized by X-ray diffraction and techniques. AFM techniques inspect the surface morphology of InSb films, the study presented the val
... Show MoreBackground: Problem-based learning is becoming increasingly adopted in universities of higher education throughout the world.
Objective: This study is carried out to evaluate the application of this innovative approach in teaching in Hadramout University College of Medicine (HUCOM) in Yemen.
Methods: A cross-sectional study was designed to collect data from students through a well structured questionnaire. Students were classified into two groups: students in preclinical
phase (1-3 levels) and students in clinical phase (4-6 level).
Results: Out of 372 students participated in the study; 19% in the preclinical phase know about PBL before joining the college while only 16% of students in clinical phas