Electronic and geometric properties of exohedral sodium- and gold-fullerenes

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DOIResolve DOI: http://doi.org/10.1063/1.1366641
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TypeArticle
Journal titleThe Journal Of Chemical Physics
Volume114
Issue19
Pages84598466; # of pages: 8
Subjectelectron affinity; electron detachment; fullerene compounds; gold compounds; molecular configurations; molecular electronic states; negative ions; photoelectron spectra; sodium compounds; time of flight mass spectra
AbstractThe electronic and geometric properties of gas-phase exohedral C60Na<sub>N</sub><sup>-</sup>, C70Na<sub>N</sub><sup>-</sup>, and C60Au<sub>N</sub><sup>-</sup> 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 C60AuN 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. In contrast, C60NaN and C70NaN show a "wet" structure having the Na atoms packed into stable trimers on the surface. For C60NaN (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, moreover, a metallic transition is shown to occur at 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.
Publication date
PublisherAIP Publishing
LanguageEnglish
AffiliationNational Research Council Canada; NRC Steacie Institute for Molecular Sciences
Peer reviewedYes
NPARC number12339342
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Record identifiere9b5ccbd-92b5-4dae-8435-02930ec54b8f
Record created2009-09-11
Record modified2017-03-23
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