✍ Scribed by D. Schmeisser; K. Graf; W. Göpel; J.U. von Schütz; P. Erk; S. Hünig
No coin nor oath required. For personal study only.
Using XPS and UPS photoelectron spectroscopy, we have studied the electronic structure of single-crystalline needles of 20 5-M-, 2-Br+M-and 2,5-DM-substituted (DCNQI),Cu charge-transfer salts, prepared in situ. The results indicate that the oxidation state of the counterion is Cu+. The electronic structure of the valence band contains contributions from C 2p and N 2p states, but also from Cu 3d atomic levels. There is a metallic density of states near the Fermi energy for (DM-DCNQI )#Iu. This is the first experimental evidence for the existence of an organic metal with an admixture of Cu 3d states. The admixture from Cu states near the Fermi energy is reduced by substitution of Cl and disappears in amorphous films, demonstrating the strong irdluence of local structure. The implication of these spectroscopic results on the conductivity mechanism is discussed.
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Extended-Hiickel and multiple-scattering Xa molecular orbltal calculations are reported for the Cu(ethanedhmine)G complex. The results obtamed are in agreement. From the calculated electronic transitxon energies, it is inferred that the lowest excited state is a B2 state of metal-to-&and charge-tran