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    Fang Qi, Sun Yaoming, You Xiaozeng. XPS and Molecular Orbitals of [Ni(dmit)2]2-,1-,0 Complexes[J]. Chinese Journal of Chemical Physics , 1992, 5(2): 129-135.
    Citation: Fang Qi, Sun Yaoming, You Xiaozeng. XPS and Molecular Orbitals of [Ni(dmit)2]2-,1-,0 Complexes[J]. Chinese Journal of Chemical Physics , 1992, 5(2): 129-135.

    XPS and Molecular Orbitals of Ni(dmit)22-,1-,0 Complexes

    • XPS study indicates that nickel 2p3/2 energies inNi(dmit)22-,1-,0 are very similar. So the oxidation states of Ni in Ni(dmit)2n- are also invariably similar. Based on UV, ESR and XPS spectra, EHMO calculations were carried out to reveal the electronic strcture of title compounds. The HOMO of Ni(dmit)22-,1-,0 are mainly delocalized ligand orbitals.
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