A DFT study on Dichloro{(E)-4-dimethylamino-N′-[(pyridin-2 yl)methylidene-κN]benzohydrazide-κO}M2+ (M=Zn, Cu, Ni and Co) complexes: Effect of the metal over association energy and complex geometry

A DFT study on Dichloro{(E)-4-dimethylamino-N′-[(pyridin-2 yl)methylidene-κN]benzohydrazide-κO}M2+ (M=Zn, Cu, Ni and Co) complexes: Effect of the metal over association energy and complex geometry

The molecular geometry of (E)-4-dimethylamino-N′-[(pyridin-2-yl)methylidene- N]benzohydrazide (C15H16N4O) complexed with M2+ (M=Zn, Cu, Ni, Fe, Mn, Ca and Co) ions were calculated, using density functional theory (B3LYP) with 6-31G(d, p) basis set. Vibrational frequencies were computed in order to v...

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Bibliographic Details
Main Authors: Mónica Andrea Gordillo Varela, Gustavo Adolfo Gutiérrez Gómez, Manuel Noé Chaur Valencia
Format: Article
Language:English
Published: Universidad Nacional de Colombia 2016-09-01
Series:Revista Colombiana de Química
Subjects:
Hydrazones
Binding energies
Single-Point
DFT
complexes
Online Access:http://revistas.unal.edu.co/index.php/rcolquim/article/view/57351

Internet

http://revistas.unal.edu.co/index.php/rcolquim/article/view/57351

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