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Computational Studies of Metal Complexes: First Row Transition metal Complexes of Schiff Base Derived from Ninhydrin and L-Alanine - Brossura
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A Density functional theory and semi empirical calculation have been carried out on a first row transition metal complexes, Mn(II), Fe(III), Co(II), Ni(II), Zn(II) to predict molecular properties of the metal complexes chelated to the intermediate Schiff base, IDIPA, derived from ninhydrin and α, L-alanine in their octahedral structure. Geometry and infrared spectra of the metal complexes, Mn(II), Fe(II), Co(II), Ni(II), and Zn(II) were calculated with B3LYP method using 6-31G, 3-21G(d), 6-31G(d), 3-21G(d), and 3-21G(d) basis set, respectively, and compared with their experimental data. The electronic spectra of the ligand and metal complexes were also performed with ZINDO method. The geometry of the metal complexes were predicted and the ligand were characterized as tridentate and monobasic potential ligand for the metals in their octahedral structure. The electronic spectral calculation of the metal complexes were clearly indicative of a coordination of six in which the number of ligands, IDIPA, coordinated to the metal vary for the first two metal complexes, Mn(II), Fe(III)
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Mr. Tesfalem has received his B.Sc in Applied Chemistry from Debub University, Ethiopia since 2006 and his M.Sc degree in Chemistry(Physical)from Addis Ababa University in 2009. Currently, he is working as a lecturer and researcher in Wolaita Sodo University since 2006.
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Computational Studies of Metal Complexes
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LAP LAMBERT Academic Publishing Jun 2012, 2012
ISBN 10: 3659150290
ISBN 13: 9783659150296
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Taschenbuch. Condizione: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -A Density functional theory and semi empirical calculation have been carried out on a first row transition metal complexes, Mn(II), Fe(III), Co(II), Ni(II), Zn(II) to predict molecular properties of the metal complexes chelated to the intermediate Schiff base, IDIPA, derived from ninhydrin and , L-alanine in their octahedral structure. Geometry and infrared spectra of the metal complexes, Mn(II), Fe(II), Co(II), Ni(II), and Zn(II) were calculated with B3LYP method using 6-31G, 3-21G(d), 6-31G(d), 3-21G(d), and 3-21G(d) basis set, respectively, and compared with their experimental data. The electronic spectra of the ligand and metal complexes were also performed with ZINDO method. The geometry of the metal complexes were predicted and the ligand were characterized as tridentate and monobasic potential ligand for the metals in their octahedral structure. The electronic spectral calculation of the metal complexes were clearly indicative of a coordination of six in which the number of ligands, IDIPA, coordinated to the metal vary for the first two metal complexes, Mn(II), Fe(III) 72 pp. Englisch. Codice articolo 9783659150296
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Computational Studies of Metal Complexes : First Row Transition metal Complexes of Schiff Base Derived from Ninhydrin and L-Alanine
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LAP LAMBERT Academic Publishing, 2012
ISBN 10: 3659150290
ISBN 13: 9783659150296
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Da: AHA-BUCH GmbH, Einbeck, Germania
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Taschenbuch. Condizione: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - A Density functional theory and semi empirical calculation have been carried out on a first row transition metal complexes, Mn(II), Fe(III), Co(II), Ni(II), Zn(II) to predict molecular properties of the metal complexes chelated to the intermediate Schiff base, IDIPA, derived from ninhydrin and , L-alanine in their octahedral structure. Geometry and infrared spectra of the metal complexes, Mn(II), Fe(II), Co(II), Ni(II), and Zn(II) were calculated with B3LYP method using 6-31G, 3-21G(d), 6-31G(d), 3-21G(d), and 3-21G(d) basis set, respectively, and compared with their experimental data. The electronic spectra of the ligand and metal complexes were also performed with ZINDO method. The geometry of the metal complexes were predicted and the ligand were characterized as tridentate and monobasic potential ligand for the metals in their octahedral structure. The electronic spectral calculation of the metal complexes were clearly indicative of a coordination of six in which the number of ligands, IDIPA, coordinated to the metal vary for the first two metal complexes, Mn(II), Fe(III). Codice articolo 9783659150296
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Computational Studies of Metal Complexes
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Condizione: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Autor/Autorin: Weldearegay TesfalemMr. Tesfalem has received his B.Sc in Applied Chemistry from Debub University, Ethiopia since 2006 and his M.Sc degree in Chemistry(Physical)from Addis Ababa University in 2009. Currently, he is working as a lectu. Codice articolo 5135133
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Computational Studies of Metal Complexes: First Row Transition metal Complexes of Schiff Base Derived from Ninhydrin and L-Alanine
Editore:
LAP LAMBERT Academic Publishing, 2012
ISBN 10: 3659150290
ISBN 13: 9783659150296
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Computational Studies of Metal Complexes
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LAP LAMBERT Academic Publishing Jun 2012, 2012
ISBN 10: 3659150290
ISBN 13: 9783659150296
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Taschenbuch. Condizione: Neu. This item is printed on demand - Print on Demand Titel. Neuware -A Density functional theory and semi empirical calculation have been carried out on a first row transition metal complexes, Mn(II), Fe(III), Co(II), Ni(II), Zn(II) to predict molecular properties of the metal complexes chelated to the intermediate Schiff base, IDIPA, derived from ninhydrin and ¿, L-alanine in their octahedral structure. Geometry and infrared spectra of the metal complexes, Mn(II), Fe(II), Co(II), Ni(II), and Zn(II) were calculated with B3LYP method using 6-31G, 3-21G(d), 6-31G(d), 3-21G(d), and 3-21G(d) basis set, respectively, and compared with their experimental data. The electronic spectra of the ligand and metal complexes were also performed with ZINDO method. The geometry of the metal complexes were predicted and the ligand were characterized as tridentate and monobasic potential ligand for the metals in their octahedral structure. The electronic spectral calculation of the metal complexes were clearly indicative of a coordination of six in which the number of ligands, IDIPA, coordinated to the metal vary for the first two metal complexes, Mn(II), Fe(III)OmniScriptum SRL, Str. Armeneasca 28/1, office 1, 2012 Chisinau 72 pp. Englisch. Codice articolo 9783659150296
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