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Jahn–teller distortion in 2-pyridyl-(1, 2, 3)-triazole-containing copper (II) compounds

The syntheses, characterization and experimental solid state X-ray structures of five low-spin paramagnetic 2-pyridyl-(1,2,3)-triazole-copper compounds, [Cu(Ln)2Cl2], are presented in this study, for the following five Ln ligands: L1 = 2-(1-(p-tolyl)-1H-(1,2,3-triazol-4-yl)pyridine), L2 = 2-(1-(4- chlorophenyl)-1H-(1,2,3-triazol-4-yl)pyridine), L3 = 4-(4-(pyridin-2-yl)-1H-(1,2,3-triazol-4-yl)benzonitril), L4 = 2-(1-phenyl-1H-(1,2,3-triazol-4-yl)pyridine) and L5 = 2-(1-(4-(trifluoromethyl)phenyl)-1H-(1,2,3- triazol-4-yl)pyridine). These five [Cu(Ln)2Cl2] complexes each contain two bidentate 2-pyridyl-(1,2,3)- triazole (Ln) and two chloride ions as ligands, with the Cu–N(pyridine) bonds, Cu–N(triazole) and Cu–Cl bonds trans to each other. All five [Cu(Ln)2Cl2] compounds display elongation Jahn–Teller distortion, either along opposite Cu–N(triazole) bonds, or along opposite Cu–Cl bonds, as indicated by their obtained solid state crystal structures. Quantum chemistry calculations, using density functional theory, indicated however that elongation Jahn–Teller distortion is in fact possible along any two opposite bonds in these octahedral compounds with the elongation distortion along the opposite Cu–N(triazole) bonds being the most stable structure.

Publication Date
Sun Dec 09 2018
Journal Name
Baghdad Science Journal
Synthesis, Characterization of Poly Heterocyclic Compounds, and Effect on Cancer Cell (Hep-2) In vitro.

A synthesis series of new heterocyclic derivatives (A2-A7) (pyrrole, pyridazine, oxazine and imidazol) derived from 4-acetyl-2,5-dichloro-1-(3,5-dinitrophenyl)-1H-pyrrole-3-carboxylate(A1) have been synthesised. Synthesis of compound (A2) by the reaction of starting material (A1) with hydroxyl amine hydrochloride in the presence of pyridine. Compound (A2) was reacted with hydrazine hydrate in dry benzene to give (A3) derivative. The compound )A3( deals with sodium nitrite to give diazonium salt, and the reaction diazonium salt with ethyl acetoacetate to produce compound (A4). To a mixture of compound (A4) and hydroxyl amine with sttired to yield (A5).Compound (A6) was prepared by reaction compound (A4) with thiosemicarbazide in presence

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Publication Date
Sat Aug 15 2015
Journal Name
Chemistry And Materials Research
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Publication Date
Mon May 22 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Determination of Adenosine Deaminase Activity in type 1 and type 2 Diabetes Mellitus

         Serum adenosine deaminase (ADA) activity was determined in 30 blood sample of type 1 diabetic individuals 30 blood sample for the type 2 and 15 normal children as a control for type 1 15 normal adults as control for type 2. The mean ADA activity and specific activity in type 1 was (8.85± 5.55 U/mg of protein) which is compared with control (32.11± 1.54 U/mg of protein) while in type 2 was (48.46±11.91 U/mg of protein) is compared with control (5.18± 2.27 U/mg of protein ). We conclude that the altered blood level of ADA activity may help in predicting immunological dysfunction in diabetic individuals and also has a prognostic value.

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Publication Date
Wed Mar 28 2018
Journal Name
Iraqi Journal Of Science
Weak Forms of Soft (1, 2)*-Omega Open Sets in Soft Bitopological Spaces

 In this paper, we introduce  and  study  new  classes of soft  open  sets  in soft bitopological spaces called soft  (1,2)*-omega  open  sets  and  weak forms of soft (1,2)*-omega open sets such as soft  (1,2)*-α-ω-open sets, soft  (1,2)*-pre-ω-opensets, soft  (1,2)*-b-ω-open sets,  and  soft  (1,2)*-β-ω-open  sets. Moreover; some basic properties and the relation among these concepts and other concepts also have been studied.

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Publication Date
Sat Jan 01 2022
Journal Name
Proceeding Of The 1st International Conference On Advanced Research In Pure And Applied Science (icarpas2021): Third Annual Conference Of Al-muthanna University/college Of Science
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Publication Date
Sun Oct 30 2022
Journal Name
Iraqi Journal Of Science
Exact Solution for Systems of Nonlinear (2+1)D-Differential Equations

      The aim of this article is to present the exact analytical solution for models as system of (2+1) dimensional PDEs by using a reliable manner based on combined LA-transform with decomposition technique and the results have shown a high-precision, smooth and speed convergence to the exact solution compared with other classic methods. The suggested approach does not need any discretization of the domain or presents assumptions or neglect for a small parameter in the problem and does not need to convert the nonlinear terms into linear ones. The convergence of series solution has been shown with two illustrated examples such (2+1)D- Burger's system and (2+1)D- Boiti-Leon-Pempinelli (BLP) system.

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Publication Date
Tue Jul 01 2014
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Ghrelin Levels in Male Patients with Hyperlipoproteinemia I, II versus Type 2 Diabetes Mellitus.

Background; Hyperlipoproteinemia (HLP)  are divided in primary and secondary subtypes. Primary HLP is usually due to genetic causes. Secondary HLP is resulting from another underlying disorder such as diabetes mellitus that leads to alterations in plasma lipid and lipoprotein metabolism, HLP may be idiopathic .

Patients and Methods; Ninety male individuals (age 30-45)years were enrolled in this study which were divided into three groups as follows:- (G1) consist of 30 healthy male individuals as a control group, (G2) consist of  30 male patients with (HLP) without any other disease  (15 of them were HLP1,the other were HLP11), (G3) consist of 30 male patients with DM2 without any o

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Publication Date
Sun Oct 30 2022
Journal Name
Iraqi Journal Of Science
Electropolymerization of [N-(1, 3-thiazo-2-yl)] maleamic acid and their Nanocomposite with Graphene Oxide as Protective Coating against Corrosion and Antibacterial Action

     Poly [N-(1, 3-thiazo-2yl)]maleamic acid synthesized from corresponding monomer N-(1, 3-thiazo-2yl)maleamic acid (NTM) by using the process of electrochemical polymerization in aqueous solution at room temperature. The structure of the polymeric layer generated on the surface of (Low Carbon Steel (L.C.S)) (working electrode) was investigated by Fourier Transmission Infrared [FT-IR] and a scanning electron microscope [SEM]. The anticorrosion ability of a polymeric layer on low carbon steel (L.C.S) was investigated using a method of electrochemical polarization at temperatures ranging from (293 to 323) K, in a 3.50 percent NaCl solution. The activation parameters, both kinetic and thermodynamic for the L.C.S corrosion process were

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Publication Date
Tue Dec 31 2013
Journal Name
Al-khwarizmi Engineering Journal
Spectral Study of Pt (II), Cr (II) Polymeric Complexes of the Ligand N- Crotonyl -2- Hydroxy-Phenylazomethine

 The polymeric complexes were obtained from the reaction of polymeric Schiff base.N-crotonyl-2-hydroxyphenylazomethine (HL), with divalent metals Pt (II), Cr (II). The modes of bonding and overall geometry of the complexes were determine through spectroscopic methods and compared with that reported from analogous monomeric ligand. This study revealed square planer geometry around the metal center for [Pt(L)Cl] and distorted octahedral geometry for Cr complex [Cr(L)Cl(H2O)2].

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Publication Date
Sun Jan 01 2006
Journal Name
Acta Crystallographica Section E
(OC-6-32)-Bis[5-bromo-2-(4-bromophenyldiazenyl) phenyl]dicarbonylruthenium(II)

The title compound, [Ru(C12H7Br2N2)2(CO)2], possesses a distorted octahedral environment about the Ru atom, with two cyclometallated 4,40-dibromoazobenzene ligands and two mutually cis carbonyl ligands. The donor atoms are arranged such that the N atoms are respectively trans to a carbonyl ligand and an aryl C atom. Comment The title compound, (I), has been prepared as a minor product of the reaction of Ru3(CO)12 and 4,40-dibromoazobenzene in refluxing n-octane; the major product is the cluster complex Ru3(3-NC6H4Br)2(CO)9 (Willis et al., 2005). Two strong (CO) absorptions at 2039 and 1991 cm1 in the IR spectrum of (I) are consistent with the presence of two mutually cis carbonyl groups. The crystal structure was investigated to ascertai

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