BCl3 is toxic gas and its detection is of great importance. Thus, here, B3LYP, M06-2X, and B97D density functionals are utilized for probing the effect of decorating Zn, Cd, and Au on the sensing performance of an AlP nano-sheet (AlPNS) in detecting the BCl3. We predict that the interaction of pure AlPNS with BCl3 is physisorption, and the sensing response (SR) of AlPNS is approximately 9.2. The adsorption energy of BCl3 changes from −4.1 to −18.8, −19.1, and −19.5 kcal/mol by decorating the Zn, Cd, and Au metals into the AlPNS surface, respectively. Also, the corresponding SR meaningfully rises to 40.4, 59.0, and 80.9, indicating that by increasing the atomic number of metals, the sensitivity of metal decorated AlPNS (metal@AlPNS)
... Show Moreالوصف New complexes of Cu (ll), Ni (II)„Co (II), and Zn (ll) with 2-amino-5-p-Flouro Phenyl 1, 3, 4-Thiadiazole have been synthesized. The products were isolated, studied and characterized by physical measurements, ie,(FT-IR)„UV-Vis and the melting points were determined. The new Schiff base (L) has been used to prepare some complexes. The prepared complexes were identified and their structural geometry were suggested
In this study the new azo compounds (3compounds) for nitrogen bases (Adenine and Cytosine) are synthesized through two reaction steps (formation of diazonium salt and coupling reaction). The compounds have been characterized by FTIR, melting point, and ultra-violate (UV) spectra. All synthesized compounds have been estimated in vitro for their antimicrobial activities against two species of bacteria(E.coli, S.aureus)and one kind of fungi ( Aspergillus flavus) .The results show that these compounds have very good antibacterial and antifungal activities especially compounds 1 and 3.To study the effect of these compounds were making some physiological tests on rats are made ,the results of hematological study showed decreasing level of
... Show MoreA new ligand ( 4- methoxy benzoyl ) carbamothioyl ) Glycine (MCG) is synthesized by reaction of (4- methoxy benzoyl isothiocyanate) with Glycine(1:1). It is characterized by micro elemental analysis (C.H.N.S.), FT-IR, (UV-Vis) and 1H and 13CNMR spectra. Some metals ions complexes of this ligand were prepared and characterized byFT-IR,UV-Visible spectra, conductivity measurements, magnetic susceptibility and atomic absorption. From results obtained, the following formula [M(MCG)2] where M2+ = Mn, Co, Ni, Cu, Zn, , Cd and Hg, the proposed molecular structure for these complexes as tetrahedral geometry, except copper complex is has square planer geometry.
To know the effect of bio-enhancer (zeolite), biohealth, mineral fertilizers and their interactions, the possibility of replacing mineral fertilizers with bio-enhancers and bio-enhancers, and their effect on some potato yield measurements. A field experiment was conducted at one of the field stations of the College of Agricultural Engineering Sciences, University of Baghdad, near the electronic calculator center, research station (F) in Al-Jadriya region in the loam mixture soil during autumn season 2021-2022 AD, It was designed using a completely randomized block design (RCBD) with three replicates. The factors of the study experiment included three levels of zeolite (0, 6 tons ha-1, and 12 tons ha-1), which were symbolized by (Z0)
... Show MoreThe study was conducted to investigate the effect of salinity of irrigation water on seeds quality and seedling growth characters for three oat cultivars (Shifaa, Hamel and Pimula) . It was carried oat in seed technology laboratory, field crops department, College of Agriculture, Baghdad University of Aljadiriya for period of tow years. Seeds of three oat cultivars (Shifaa, Hamel and Pimula) taken from a field experiment conducted during 2014-2015 and 2015-2016 irrigated with three salinity water levels (3, 6 and 9 dS.m-1 ) in addition to river water with salinity level of 1.164 dS.m-1 as control. Seeds were tested in laboratory experiments to estimate their quality, and completely randomized design with three replicates was used. Statistic
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