Title : Determination of d-Orbital Populations in a Cobalt(II) Single-Molecule Magnet Using Single-Crystal X-ray Diffraction.

Pub. Date : 2018 Jun 18

PMID : 29862809






1 Functional Relationships(s)
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1 Notably, we find that an electrostatic interaction between Co(II) and one hydrogen atom from a thiophenolate group in the xz plane increases the energy of the d x2- y2 orbital, leading to the nearly equal population with d xy and strong magnetic anisotropy. Hydrogen mitochondrially encoded cytochrome c oxidase II Homo sapiens