Electronic and geometric properties of exohedral sodium- and gold-fullerenes. The Journal of Chemical Physics, 114(19):8459-8466, AIP, 2001.
abstract   bibtex   
The electronic and geometric properties of gas-phase exohedral C60Na⎯N,C60NaN−, C70Na⎯N,C70NaN−, and C60Au⎯NC60AuN− cluster anions are investigated. Time-of-flight mass spectrometry and photoelectron spectroscopy (PES) reveal complex-specific arrangements of the sodium and the gold atoms on the fullerene cage. The electron affinity of C60AuNC60AuN clearly shows even–odd alternation with the number of Au atoms, which suggests a “dry” structure where Au atoms aggregate as a cluster on the C60.C60. In contrast, C60NaNC60NaN and C70NaNC70NaN show a “wet” structure having the Na atoms packed into stable trimers on the surface. For C60NaNC60NaN (N=0(N=0 to 4), PES experiments at a high photodetachment energy (5.81 eV) allow us to deduce the net charge transferred from the sodium atoms to the lowest unoccupied molecular orbital of the fullerene. For larger C60NaN,C60NaN, moreover, a metallic transition is shown to occur at N∼13,N∼13, and analysis of the adiabatic electron affinity variations allows the identification of the first magic sizes corresponding to electronic shell closure in the sodium layer.), url_Link =http://dx.doi.org/10.1063/1.1366641, url_Paper=http://www.attoscience.ca/pdf/Smirnova_Dichroism_PRL_2009.pdf

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