Aromaticity, antiaromaticity and chemical bonding in the ground (S0), first singlet excited (S1) and lowest triplet (T1) electronic states of disulfur dinitride, S2N2, were investigated by analysing the isotropic magnetic shielding, σiso(r), in the space surrounding the molecule for each electronic state. The σiso(r) values were calculated by state-optimized CASSCF/cc-pVTZ wave functions with 22 electrons in 16 orbitals constructed from gauge-including atomic orbitals (GIAOs). The S1 and T1 electronic states were confirmed as 11Au and 13B3u, respectively, through linear response CC3/aug-cc-pVTZ calculations of the vertical excitation energies for eight singlet (S1–S8) and eight triplet (T1–T8) electronic states. The aromaticities of S0, S1 and T1 were also assessed using additional magnetic criteria including nucleus-independent chemical shifts (NICS) and magnetic susceptibilities calculated at several levels of theory, the highest of which were CCSDT-GIAO/cc-pVTZ for S0 and CASSCF(22,16)-GIAO/aug-cc-pVQZ for S1 and T1. The results strongly suggest that: 1) the S0 electronic ground state of S2N2 is aromatic but less so than the electronic ground state of benzene; 2) S1 is profoundly antiaromatic, to an extent that removes any bonding interactions that would keep the atoms together; and 3) T1 is also antiaromatic, but its antiaromaticity is more moderate and similar to that observed in the electronic ground state of square cyclobutadiene. S2N2 is the first example of an inorganic ring for which theory predicts substantial changes in aromaticity upon vertical transition from the ground state to the first singlet excited or lowest triplet electronic states.
The insulation system of a machine coil includes several layers made of materials with different characteristics. The effective insulation design of machine coils, especially in the machine end winding, depends upon an accurate model of the stress grading system. This paper proposes a modeling approach to predict the transient overvoltage, electric field, and heat generation in machine coils with a stress grading system, considering the variation of physical properties in the insulation layers. A non-uniform line model is used to divide the coil in different segments based on material properties and lengths: overhang, stress grading and slot. The cascaded connection of chain matrices is used to connect segments for the representation of the
... Show MoreIn this work Laser wireless video communication system using intensity modualtion direct
detection IM/DD over a 1 km range between transmitter and receiver is experimentally investigated and
demonstrated. Beam expander and beam collimeter were implemented to collimete laser beam at the
transmitter and focus this beam at the receiver respectively. The results show that IM/DD communication
sysatem using laser diode is quite attractive for transmitting video signal. In this work signal to noise
ratio (S/N) higher than 20 dB is achieved in this work.
This research focuses on the removal and adsorption of Fe (III) ion using a low cost commercial polyacrylic acid hydrogel beads as adsorbent. The effects of time, initial concentration and pH on the metal ion adsorption capacity were investigated. The regeneration of the hydrogel bead and recovery of the metal ion adsorbed were study. The adsorption isotherm models were applied on experimental data and it is shown that the Langmuir model was the best one for Fe (III) ion removal. The maximum capacity was calculated. First-order and second- order kinetic models were used and it is shown that the experimental data was in reliable compliance with the first- order model with R2 value of (0.9935, 0.9011, 0.9695, 0.9912) for all concentrations
... Show MoreTillage appearance device is mechanical, electric-electronic design, getting Patent from the Central Organization for Standardization and Quality Control – Industrial Property Department - Ministry of Planning – The Republic of IRAQ under number Patent 3876 in 20 / 4 / 2014, calculates the number of clods per area by Tillage appearance device, This is done through the generation electrical impulses are sent to the controlled accurate calculates number clods required space and shows the result on the screen in order to see the tillage view per area. Three factor used in these experiment, first factor represents forward speed of tractor three levels (3.5, 4.5, and 5.5 km/h), second factor represent soil moisture content at two levels (14
... Show MoreField trial was conducted during the growing season of 2011-2012 at the Research
Field, Department of Biology, College of Science, Baghdad University to test the
performance of wheat cv Rabyaa, Latifiya, Al-Iraq, Tummose 2, Abu-Graib 3, IPA
99 and Sham 6 grown under different soil water deficit stresses. Several agronomic
and physiological traits and yield and yield components of the test cultivars were
determined. The experiment was conducted in split plot design with five replications
for each treatment. The cultivars were kept in the sub plot while water stress
treatment was assigned as main plot. Water stress was applied by irrigated the plots
to the soil field capacity (FC) then withheld next irrigation until
The goal of this paper is to expose a new numerical method for solving initial value time-lag of delay differential equations by employing a high order improving formula of Euler method known as third order Euler method. Stability condition is discussed in detail for the proposed technique. Finally some examples are illustrated to verify the validity, efficiency and accuracy of the method.
During COVID-19, wearing a mask was globally mandated in various workplaces, departments, and offices. New deep learning convolutional neural network (CNN) based classifications were proposed to increase the validation accuracy of face mask detection. This work introduces a face mask model that is able to recognize whether a person is wearing mask or not. The proposed model has two stages to detect and recognize the face mask; at the first stage, the Haar cascade detector is used to detect the face, while at the second stage, the proposed CNN model is used as a classification model that is built from scratch. The experiment was applied on masked faces (MAFA) dataset with images of 160x160 pixels size and RGB color. The model achieve
... Show MoreThe effect of molecules intersystem crossing (Kisc) on characteristics
(energy and duration) of a Passive Q- switched Laser Pulse has been
studied by mathematical description (rate equations model) for
temporal performance of which was used as a saturable absorber
material (passive switch) with laser. The study shows that the energy
and duration pulse are decreasing while the molecules intersystem
crossing into saturable absorber energy levels is increasing.
In this paper, the 5 minutes measured wind speed data for year 2012 at 10 meter height for Tweitha have been statically analyzed to assess the time of wind turbine electrical power generation. After collection Tweitha wind data and calculation of mean wind speed the cumulative Weibull diagram and probability density function was ploted, then each of cumulative Weibull distribution, cut-in and furling turbine wind speed could be used as a mathematical input parameters in order to estimate the hours of electrical power generation for wind turbine during one day or one year. In Tweitha site, found that the average wind speed was (v= 1.76 m/s), so five different wind turbines were be selected to calculate hours of electrical generation for A
... Show MoreThe purpose of this study was to investigate the bacterial etiology of urinary tract infections microbiologic properties of Escherichia coli isolated from urinary tract infection patients against nine amoxicillin antibiotic. E.coli isolates were collected from patients samples suffering from urinary tract infection, based on biochemical tests of Epi 20 system .Nine Amoxicillin antibiotics were selected (some vials and other are capsules) which manufactured in different countries were bought from local pharmacies in Baghdad, for the purpose of knowing the inhibitory activity of these antibiotics on E.coli one of the main microorganisms to cause urinary tract infection, the antibiotics were prepared in a concentration of 100mg/ml and their
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