Bioinorganic Chemistry and Applications / 2018 / Article / Fig 3

Research Article

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

Figure 3

Molecular graphs of EDA2BB complexes computed based on their gas phase optimized geometries at the BP86-D3(BJ)/def2-TZVP(-f) level of theory. The BCPs are the small red spheres around the centre of the bond paths. The bond paths are the brown or green colored lines.

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