Aromaticity reversals between the electronic ground (S0) and low-lying singlet (S1, S2) and triplet (T1, T2, T3) states of naphthalene and anthracene are investigated by calculating the respective off-nucleus isotropic magnetic shielding distributions using complete-active-space self-consistent field (CASSCF) wavefunctions involving gauge-including atomic orbitals (GIAOs). The shielding distributions around the aromatic S0, antiaromatic S1 (1Lb), and aromatic S2 (1La) states in naphthalene are found to resemble the outcomes of fusing together the respective S0, S1, and S2 shielding distributions of two benzene rings. In anthracene, 1La is lower in energy than 1Lb, and as a result, the S1 state becomes aromatic, and the S2 state becomes antiaromatic; the corresponding shielding distributions are found to resemble extensions by one ring of those around the S2 and S1 states in naphthalene. The lowest antiaromatic singlet state of either molecule is found to be significantly more antiaromatic than the respective T1 state, which shows that it would be incorrect to assume that the similarity between the (anti)aromaticities of the S1 and T1 states in benzene, cyclobutadiene, and cyclooctatetraene would be maintained in polycyclic aromatic hydrocarbons.
Refuse derived fuel (RDF) is considered one of the most important types of low cost thermal energy which can be tapped in the industry, especially the cement industry in particular being the need of high thermal energy during the production processes, and in this paper we have implemented the use of a derivative of the fuel RDF as a substitute for gasoline , to reduce production costs and thereby achieve production efficiency, and the methodology used in this research statistical analysis as well as the use of the cost of kaizen target for the purpose of reducing costs and achieve production efficiency, and this has reduced the cost total cement production by which led to reduce total costs of cement production by 8.4% and an incre
... Show MoreGraphene-carbon nitride can be synthesized from thiourea in a single step at a temperature of four hours at a rate of 2.3 ℃/min. Graphene-carbon nitride was characterized by Fourier-transform infrared spectroscopy (FTIR), energy dispersive X-ray analysis (EDX), scanning electron microscopy, and spectrophotometry (UV-VIS). Graphene-carbon nitride was found to consist of triazine and heptazine structures, carbon, and nitrogen. The weight percentage of carbon and the atomic percentage of carbon are 40.08%, and the weight percentage of nitrogen and the atomic percentage of nitrogen are 40.08%. Therefore, the ratio and the dimensions of the graphene-carbon nitride were characterized by scanning electron microscopy, and it was found that the
... Show MoreShifting Sand of English in Iraq language Policy and Planning
The present work deals with the performance of screw piles constructed in gypseous soil of medium relative density; such piles are extensively used in piles foundations supported structures subjected to axial forces. The carrying capacity and settlement of a single screw pile model of several diameters (20, 30, and 40) mm inserted in gypseous soil is investigated in the present study. The gypsum content of soil used in tests was 40%. The bedding soil used in tests was prepared by raining technique with a relative density of 40%. A physical model was manufactured to demonstrate the tests in the laboratory. The model of screw pile has been manufactured of steel with a total length of 50
Biodiversity, biological diversity, biological diversity, biological diversity, biological diversity, biological diversity, biological diversity (by developmental factors) environmental factors and environmental factors environmental factors and environmental factors and environmental factors Correlation between biology and the succession of geological and historical factors of living organisms and geological and historical factors to the site and what It is surrounded by natural and tourist attractions and the pursuit of scientific methods in order to advance the studies of biological diversity in the region .
Infertilityis oneuof the most problemsathatufacingaadvancedunations. In the general, about halfof allacasesaof the infertility are causedby factors thaturelated toathe male partner. Propos educausesvofumalev infertility include evgeneticuand environmental factors. Blood samples from 64 infertileumen allawere living in urban its al-Fallujah city (30 azospermeiauand 34 oligospermeia) and 32 fertile men (asuthe control group) were collected. Heavy metal concentrations inusera of infertile and fertile groupswereumeasured by using Atomic Absorption Spectrophotometer. Y- chromosomemicrodeletions were detected by using PCR techniques. Significantdifferences (P?0.05)uin the concentration ofucopper (0.0267±0.0147 and 0.0278±0.0273, for inf
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