X-ray photoelectron spectroscopy of Cu3+ in NaK2CuF6

Gopinath, Chinnakonda S. (1996) X-ray photoelectron spectroscopy of Cu3+ in NaK2CuF6 Journal of the Chemical Society, Faraday Transactions, 92 (19). pp. 3605-3610. ISSN 0956-5000

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Official URL: http://pubs.rsc.org/en/Content/ArticleLanding/1996...

Related URL: http://dx.doi.org/10.1039/FT9969203605


The valence-band, Cu 3p and Cu 2p core-level spectra of NaK2CuF6, cryolite, containing copper in a 3 + valence state have been measured and the results are compared with those of other Cu3+ compounds such as LaCuO3 and NaCuO2. Evidence of the 2p53d8 final state in Cu 2p core-level and 3d7 satellites in the valence band due to Cu3+ ions has been found. The L3M45M45(LVV) Auger-electron kinetic energy is shifted by 1.2 eV relative to that of CuF2. The satellite of the LVV Auger line and the 2p and 3p core-level spectra are explained in terms of final-state energies diminished by Coulomb interactions between the valence electrons and the X-ray induced 2p core holes. The fluorine is binding energy (686.3 eV) indicates more ionic character and less charge transfer from ligand to metal. Experimental results are explained with simple configuration interaction calculations and the nature of the cryolite as a charge-transfer insulator.

Item Type:Article
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