Synthesis and Theoretical Study of 4-(2-methyl-4-oxoquinazoline-3(4H)-yl) Benzoic acid with Some Transition Metal Ions
Baghdad Science Journal
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| Title |
Synthesis and Theoretical Study of 4-(2-methyl-4-oxoquinazoline-3(4H)-yl) Benzoic acid with Some Transition Metal Ions
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| Creator |
Journal, Baghdad Science
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| Description |
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.
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| Publisher |
College of Science for Women - University of Baghdad
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| Date |
2013-09-01
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| Type |
info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion Peer-reviewed Article |
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| Format |
application/pdf
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| Identifier |
http://bsj.uobaghdad.edu.iq/index.php/BSJ/article/view/2569
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| Source |
مجلة بغداد للعلوم; مجلد 10 عدد 3 (2013): issue 3 المؤتمر الوطني الاول لقسم علوم الكيمياء; 537-546
Baghdad Science Journal; Vol 10 No 3 (2013): issue 3 المؤتمر الوطني الاول لقسم علوم الكيمياء; 537-546 2411-7986 2078-8665 |
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| Language |
eng
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| Relation |
http://bsj.uobaghdad.edu.iq/index.php/BSJ/article/view/2569/2500
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| Rights |
Copyright (c) 2013 Baghdad Science Journal
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