scholarly journals Synthesis and Theoretical Study of 4-(2-methyl-4-oxoquinazoline-3(4H)-yl) Benzoic acid with Some Transition Metal Ions

2013 ◽  
Vol 10 (3) ◽  
pp. 537-546
Author(s):  
Baghdad Science Journal

New complexes of the type [ML2(H2O)2] ,[FeL2(H2O)Cl] and [VOL2] were M=Co(II),Ni(II) and Cu(II) ,L=4-(2-methyl-4-oxoquinazoline-3(4H)-yl) benzoic acid were synthesized and characterized by element analysis, magnetic susceptibility ,molar conductance ,FT-IR and UV-visible. The studies indicate that the L acts as doubly monodentate bridge for metal ions and form mononuclear complexes. The complexes are found to be octahedral except V(IV) complex is square pyrimde shape . The structural geometries of compounds were also suggested in gas phase by theoretical treatments, using Hyper chem-6 program for the molecular mechanics and semi-empirical calculations, addition heat of formation(?Hf ?) and binding energy (?Eb)for the free ligands and it’s metal complexes were calculated by using PM3 method .PM3 was used to evaluate the vibration spectra of ligand and compare the theoretically calculated wave numbers with experimental values ,the theoretically obtained frequencies agreed calculation helped to assign unambiguously the most diagnostic bands.

Author(s):  
Mohammed Al-Amery1 ◽  
Ashraf Saad Rasheed ◽  
Dina A. Najeeb

Five new mixed ligand metal complexes have been synthesized by the reaction of divalent transition metal ions (Hg, Ni, Zn, Cu and Cd) with 2-(naphthalen-l-ylamino)-2-phenylacetonitrile (L1 ) and 1,10-phenanthroline (L2). The coordination likelihood of the two ligands toward metal ions has been suggested in the light of elemental analysis, UV-Vis spectra, FTIR, 1H-NMR, flam atomic absorption, molar conductance and magnetic studies. Results data suggest that the octahedral geometry for all the prepared complexes. Antibacterial examination of synthesized complexes in vitro was performed against four bacterias. Firstly, Gram-negative bacteria namely, Pseudomonas aerugin and Escherichia. Secondly, Gram-positive bacteria namely, Bacillus subtilis, Staphylococcuaurouss. Results data exhibit that the synthesized complexes exhibited more biological activity than tetracycline pharmaceutical.


2012 ◽  
Vol 2012 ◽  
pp. 1-10 ◽  
Author(s):  
Abdussalam Salhin Mohamad Ali ◽  
Norfarhah Abdul Razak ◽  
Ismail Ab Rahman

Sorbent materials based on a hydrazone Schiff base compound, C14H11BrN4O4, were prepared either by immobilizing the ligand into sol-gel (SG1) or bonding to silica (SG2). The sorbent materials were characterized by FT-IR, EDX, SEM, TEM, and TGA. The sorption characteristics of a matrix of eight transition metal ions (Ag+, Cu2+, Co2+, Ni2+, Fe3+, Pb2+, Zn2+, and Mn2+) using batch method were studied. Several key parameters that affected the extraction efficiency such as pH, contact time, metal ions concentration, and gel size (for SGl) were investigated and optimized. Under the optimized conditions, the physically immobilized hydrazone sorbent (SG1) exhibits highest selectivity towards Ag+ions, while the chemically bonded hydrazone sorbent (SG2) exhibits high extraction for all metal ions tested. However, for practical applications such as the removal and preconcentration of Ag+, the physically immobilized sorbent (SG1) is preferred.


2016 ◽  
Vol 13 (4) ◽  
pp. 770-781 ◽  
Author(s):  
Baghdad Science Journal

New series of metal ions complexes have been prepared from the new ligand 1,5- Dimethyl-4- (5-oxohexan-2- ylideneamino) -2-phenyl- 1H-pyrazol-3 (2H)-one derived from 2,5-hexandione and 4-aminophenazone. Then, its V(IV), Ni(II), Cu(II), Pd(II), Re(V) and Pt(IV) complexes prepared. The compounds have been characterized by FT-IR, UV-Vis, mass and 1H and 13C-NMR spectra, TGA curve, magnetic moment, elemental microanalyses (C.H.N.O.), chloride containing, Atomic absorption and molar conductance. Hyper Chem-8 program has been used to predict structural geometries of compounds in gas phase, the heat of formation, (binding, total and electronic energy) and dipole moment at 298 K.


2020 ◽  
Vol 11 (4) ◽  
pp. 8026-8033
Author(s):  
Dina A. Najeeb ◽  
Farah M. Ibrahim

The physiologically active compounds of Schiff bases find application in the treatment of several diseases. This biological activity of Schiff base is attributed to the formation of stable chelates with a transition metal, and they are known to exhibit a wide variety of pharmacological properties and carcinostatic activities. Cr (III), Co (II), and Ni (II) complexes of Schiff base were chosen for the present experimental work and theoretical treatment and characterized by different spectroscopies such as elemental analysis CHN, infrared, ultra visible spectroscopies, magnetic susceptibility, molar conductivity measurements, and thermal analysis The results of this research, indicate that the complexes have a type composition [M (NL)]. Schiff base NL: derived from 2-aminobenzoic acid and Benzil, M: Cr (III), Co (II), and Ni (II) transition metal ions. Schiff base acts as a tetradentate ligand with ions through the hydroxyl groups and imine groups. The work was included theoretical calculations of NL and its complexes, which were done by the program of hyperchem8. 0.7 using semi-empirical calculations. The PM3 method used to calculate the heat of formation (ΔH○f), binding energy (ΔEb), total energy (ΔEtot), and geometric properties of the compounds. 


2012 ◽  
Vol 14 (2) ◽  
pp. 88-96
Author(s):  
Bhavna Shah ◽  
Ajay Shah ◽  
Nayan Patel ◽  
Pathik Shah

Synthesis, characterization and analytical applications of chelating resin containing orcinol A chelating resin based on Salicylic acid-Formaldehyde copolymer, containing Orcinol (SFO), has been synthesized and characterized on the basis of Elemental Analysis, Particle Size Distribution, FT-IR Analysis, XRD, SEM and Optical Photographs. The Physico-Chemical properties have been studied. This resin is highly stable in acidic and alkaline solutions and has been studied as a chelating sorbent for heavy metal ions and transition metal ions. The Exchange capacity order is Ni(II) > Cu(II) > Zn(II) > Cd(II) > Pb(II). The effect of nature and concentration of different electrolytes on distribution coefficient (Kd) for metal ions have been investigated. Separation of synthetic mixtures containing Cu(II)-Pb(II), Ni(II)-Cd(II) and Brass constituents has been carried out using a column prepared from the synthesized chelating resin. The developed procedure was also tested for the removal of Cd(II) and Pb(II) from natural water of Purna River near by Navsari, Gujarat, India.


2016 ◽  
Vol 13 (4) ◽  
pp. 793-805
Author(s):  
Baghdad Science Journal

The new 4-[(7-chloro-2,1,3-benzoxadiazole)azo]-4,5-diphenyl imidazole (L) have been synthesized and characterized by micro elemental and thermal analyses as well as 1H.NMR, FT-IR, and UV-Vis spectroscopic techniques. (L) acts as a ligand coordinating with some metal ionsV(IV), Fe(III), Co(II), Ni(II), Cu(II), and Zn(II). Structures of the new compounds were characterized by elemental and thermal analyses as well as FT-IR and UV-Vis Spectra. The magnetic properties and electrical conductivities of metal complexes were also determined. Study of the nature of the complexes formed in ethanol following the mole ratio method.. The work also include a theoretical treatment of the formed complexes in the gas phase, this was done using the (hyperchem-8) program for the molecular mechanics and semi-empirical calculations. The heat of formation (?Hf?), binding energy (?Eb)and total energy (?ET) for ligand and their metal complexes were calculated by (PM3) method at 298 K.The electrostatic potential of the ligand (L) was calculated to investigate the reactive sites of the molecules. PM3 were used to evaluate the vibrational and electronic spectra for the ligand (L) and their metal complexes then comparing with the experimental values. The antibacterial activity for the (L)and its metal complexes were studied against two types of pathogenic bacteria Pseudonomous aerugionosa as gram negative and Bacillus subtilis as gram positive. Furthermore, the antifungal activity against two fungi Candida albicans, and Aspergillus flavus was studied for (L) and its metal complexes.


2015 ◽  
Vol 11 (3) ◽  
pp. 3412-3425 ◽  
Author(s):  
Khalid Jawad Kadhim ◽  
Ban A. Hatem

The preparation and spectral characterization of new ligand containing benzimidazole as organic heterocyclic azo dye compound 2-[6-(benzimidazolyl)azo]-2,4-di chloro phenol (BIADClP) was prepared by coupling reaction benzimidazole diazonium chloride with 2,4-di chloro phenol in alkaline alcoholic solution. The structure of azo dye ligand has been characterize by spectral studies such as 1H-NMR ,mass spectrum ,FT-IR, UV-Visb. and element analysis. New six complexes with Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) ions were prepared and identification by several physiochemical techniques; such as C.H.N element, magnatic susceptibility, atomic absorption, molar conductivity, IR and electronic spectra. The used techniques showed the formation of all complexes 1:2 [M:L] complexes and suggested octahedral geometry with d2sp3 hybridization of Co(III) and sp3d2 with residule chelat complexes.The coordination number of the metal ion is found to be six with binding through the phenolate O, azo N3 and with the imidazole N3 atom.All complexes that non electrolyte and no conductive species excepted the Co(III)-complexes is 1:1 electrolyte


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