The electronic structure of Ca@C60
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L.S. Wang; J.M. Alford; Y. Chai; M. Diener; J. Zhang; S.M. McClure; T. Guo; G.E.
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Article
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1993
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Elsevier Science
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English
โ 582 KB
The electronic structure of Ca@Cso in the gas phase was probed by ultraviolet photoelectron spectroscopy (UPS) ofCa@CG. The electron affinity of Ca@C, was found to be 3.0 eV. The spectrum suggests that Ca donates its two 4s electrons to the Cm t,. LUMO. Ab initio self-consistent field Hartree-Fock c