首页|Cobalt(??) and nickel(??) bis(chelate) complexes with (N, O, O)-tridentate azomethine ligands: a quantum chemical study of stereoisomers with hexa-, penta-, and tetracoordinate central atoms
Cobalt(??) and nickel(??) bis(chelate) complexes with (N, O, O)-tridentate azomethine ligands: a quantum chemical study of stereoisomers with hexa-, penta-, and tetracoordinate central atoms
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NSTL
Springer Nature
The molecular structures and relative energies of stereoisomers of the Co-?? and Ni-?? bis(chelate) complexes composed of hexa-, penta-, or tetracoordinate metal atoms and (N, O, O)-tridentate azomethine ligands and having the MN2O2O2, MN2O2O, and MN2O2 coordination sites, respectively, were obtained from the B3LYP (PBE0, TPSSh)/6-311++G(d,p)) density functional calculations. Simulation of the mechanism of formation of the complexes revealed the energy preferableness of the structures with hexacoordinate central atoms.
cobalt and nickel complexestridentate azomethinesstereoisomerizationquantum chemical simulationSTRUCTURAL-CHARACTERIZATIONADDUCTSNI(II)DFTAPPROXIMATIONPERFORMANCECO(II)
NSTL
Springer Nature
