Cargando…
Structural Properties and Reactive Site Selectivity of Some Transition Metal Complexes of 2,2′(1E,1′E)-(ethane-1,2-diylbis(azan-1-yl-1-ylidene))bis(phenylmethan-1-yl-1-ylidene)dibenzoic Acid: DFT, Conceptual DFT, QTAIM, and MEP Studies
Herein is presented a density functional theory (DFT) study of reactivity and structural properties of transition metal complexes of the Schiff base ligand 2,2′(1E,1′E)-(ethane-1,2-diylbis(azan-1-yl-1-ylidene))bis(phenylmethan-1-yl-1-ylidene)dibenzoic acid (hereafter denoted EDA2BB) with Cu(II), Mn(...
Autores principales: | Bine, Fritzgerald Kogge, Nkungli, Nyiang Kennet, Numbonui, Tasheh Stanley, Numbonui Ghogomu, Julius |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Hindawi
2018
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6178161/ https://www.ncbi.nlm.nih.gov/pubmed/30416518 http://dx.doi.org/10.1155/2018/4510648 |
Ejemplares similares
-
In silico investigation of falcipain-2 inhibition by hybrid benzimidazole-thiosemicarbazone antiplasmodial agents: A molecular docking, molecular dynamics simulation, and kinetics study
por: Nkungli, Nyiang Kennet, et al.
Publicado: (2023) -
In silico screening of ethyl 4-[(E)-(2-hydroxy-4-methoxyphenyl)methyleneamino]benzoate and some of its derivatives for their NLO activities using DFT
por: Kiven, Dinyuy Emmanuel, et al.
Publicado: (2023) -
Structural and Antioxidant Properties of Compounds Obtained from Fe(2+) Chelation by Juglone and Two of Its Derivatives: DFT, QTAIM, and NBO Studies
por: Tamafo Fouegue, Aymard Didier, et al.
Publicado: (2016) -
Crystal structure of diethyl 3,3′-{2,2′-(1E)-[1,4-phenylenebis(azan-1-yl-1-ylidene)]bis(methan-1-yl-1-ylidene)bis(1H-pyrrole-2,1-diyl)}dipropanoate
por: Alshawi, Jasim, et al.
Publicado: (2015) -
(3,3′-{(1E,1′E)-1,1′-[Ethane-1,2-diylbis(azan-1-yl-1-ylidene-κN)]bis(ethan-1-yl-1-ylidene)}dipyrazine 1-oxide-κN
(4))bis(nitrato-κO)nickel(II) monohydrate
por: Omer, Mohammed A. S., et al.
Publicado: (2013)