Theoretical investigation of the effect of auxiliary ligands on dipyrazole-bridged binuclear Cu(II) complexes
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DOI: 10.1016/j.cplett.2021.139102
Abstract: Abstract The anti-configuration of a 3,5-bis(2-pyridyl)dipyrazolate-bridged binuclear Cu(II) complex (anti-Cu2(bpypz)2(DCNE)2) and its magnetostructural correlations were studied at the B1LYP/def2-TZVPP level of theory. The calculated magnetic coupling constant was consistent with the experimental value. Molecular magnetic… read more here.
Keywords: effect auxiliary; bridged binuclear; ligands dipyrazole; auxiliary ligands ... See more keywords