M(VI) Oxidation State Stabilization in Iron, Cobalt and Nickel Heteroligand Metal Chelates Containing 3,7,11,15-Tetraazaporphine and Two Axial Oxo Ligands: Quantum-Chemical Simulation

M(VI) Oxidation State Stabilization in Iron, Cobalt and Nickel Heteroligand Metal Chelates Containing 3,7,11,15-Tetraazaporphine and Two Axial Oxo Ligands: Quantum-Chemical Simulation

The quantum-chemical calculation of iron, cobalt and nickel heteroligand complexes with the double deprotonated form of (NNNN)-donor atomic ligand—3,7,11,15-tetraazaporphine—and two oxo ligands has been carried out. Data on the structural and standard thermodynamic parameters, NB...

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Bibliographic Details
Main Authors: Oleg V. Mikhailov, Denis V. Chachkov
Format: Article
Language:English
Published: MDPI AG 2020-02-01
Series:International Journal of Molecular Sciences
Subjects:
iron(vi): cobalt(vi)
nickel(vi)
oxo ligand
3,7,11,15-tetraazaporphine
dft method
Online Access:https://www.mdpi.com/1422-0067/21/4/1494

Internet

https://www.mdpi.com/1422-0067/21/4/1494

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