Computational Studies of Metal Complexes: First Row Transition metal Complexes of Schiff Base Derived from Ninhydrin and L-Alanine - Softcover

Weldearegay, Tesfalem; Mustefa, Ahmed

Softcover

ISBN 10: 3659150290 ISBN 13: 9783659150296

Verlag: LAP LAMBERT Academic Publishing, 2012

Inhaltsangabe

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)

Über diesen Titel

Über die Autorin bzw. den Autor

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.

Details zur Ausgabe

• Verlag: LAP LAMBERT Academic Publishing
• Erscheinungsdatum: 2012
• Sprache: Englisch
• ISBN 10: 3659150290
• ISBN 13: 9783659150296
• Einband: Taschenbuch
• Anzahl der Seiten: 72
• Kontakt zum Hersteller: Nicht verfügbar
• Verantwortliche Person: Presses Academiques Francophones; customerservice@vdm-vsg.de; ; Brivibas gatve 197; Riga; 1039; Lettland