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The Λ-shaped phenanthroline-hexamolybdate compounds that are based on the reversible Mo-centered redox process were investigated. The attachment of hexamolybdate terminals to phenanthroline by a π-conjugated phenylamine bridge generated the organic ligand-centered or Ni-centered HOMO and the transition metal Mo-centered LUMO. The population in HOMO and LUMO predicted the reversible Mo VI/V ...
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