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(...
Saved in:
| Main Authors: | Fritzgerald Kogge Bine, Nyiang Kennet Nkungli, Tasheh Stanley Numbonui, Julius Numbonui Ghogomu |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Wiley
2018-01-01
|
| Series: | Bioinorganic Chemistry and Applications |
| Online Access: | http://dx.doi.org/10.1155/2018/4510648 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
-
Structural, Electronic, and Charge Transport Properties of New Materials based on 2-(5-Mercapto-1,3,4-Oxadiazol-2-yl) Phenol for Organic Solar Cells and Light Emitting Diodes by DFT and TD-DFT
by: Caryne Isabelle Lekeufack Alongamo, et al.
Published: (2022-01-01) -
The study of antimicrobial and antifungal activity of Nʹ-ylidene-2(3-(adamantan-1-yl)-1H-1,2,4-triazole-5-yl)thioacetohydrazides
by: V. M. Odyntsova
Published: (2015-08-01) -
Theoretical Study of the Structural, Optoelectronic, and Reactivity Properties of N-[5′-Methyl-3′-Isoxasolyl]-N-[(E)-1-(-2-)]Methylidene] Amine and Some of Its Fe2+, Co2+, Ni2+, Cu2+, and Zn2+ Complexes for OLED and OFET Applications
by: Hilaire Tendongmo, et al.
Published: (2022-01-01) -
Structural and Antioxidant Properties of Compounds Obtained from Fe2+ Chelation by Juglone and Two of Its Derivatives: DFT, QTAIM, and NBO Studies
by: Aymard Didier Tamafo Fouegue, et al.
Published: (2016-01-01) -
Synthesis and Antimicrobial Evaluation of 2-[2-(9<i>H</i>-Fluoren-9-ylidene)hydrazin-1-yl]-1,3-thiazole Derivatives
by: Kazimieras Anusevičius, et al.
Published: (2024-08-01)