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
Table 4
NPA charges on the ligand donor atoms and the central metal ions in the complexes investigated, computed at BP86-D3(BJ)/def2-TZVP(-f) level of theory in gas phase.
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M = Cu(II), Ni(II), Mn(II), and Co(II). |