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Theoretical rationalization for the equilibrium between (μ–η2:η2-peroxido)CuIICuII and bis(μ-oxido)CuIIICuIII complexes: perturbational effects from ligand frameworks

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT01001D, Paper
Tsukasa Abe, Yoshihito Shiota, Shinobu Itoh, Kazunari Yoshizawa
DFT calculations are carried out to investigate the geometric effects of the supporting ligands in the relative energies of the (μ–η22-peroxido)CuIICuII complex 1 and the bis(μ-oxido)CuIIICuIII complex 2.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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