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Title: Carbon clusters containing two metals atoms: Structures, growth mechanism, and fullerene formation

Journal Article · · Journal of the American Chemical Society
DOI:https://doi.org/10.1021/ja953071k· OSTI ID:219650
;  [1]
  1. Northwestern Univ., Evanston, IL (United States)

Gas phase ion mobility measurments have been used to probe the structures and interconversion of La{sub 2}C{sub n}{sup +} (n = 1-100) isomers. The smallest La{sub 2}C{sub n}{sup +} clusters (n = 10) appear to be planar rings. However, planar mono and bicylic rings (the dominant isomers for C{sub n}{sup +} and LaC{sub n}{sup +}, n = 30, clusters) are not observed for the larger La{sub 2}C{sub n}{sup +} species. Instead, isomers which appear to be three-dimensional ring complexes dominate for unannealed La{sub 2}C{sub n}{sup +} (n + 17) clusters. The formation of these complexes is probably driven by electrostatic forces. For n = 30 the three-dimensional ring complexes isomerize into metallofullerenes (and metal-containing graphite sheets for n = 30-37). The estimated activation energies for these isomerization processes are about 1eV lower than those estimated for similar processes for planar C{sub n}{sup +} and LaC{sub n}{sup +} rings. Metallofullerenes with two non-endohedral metal atoms (for n = 28-29), one endohedral metal atom (for n = 31-100), and two endohedral metal atoms (for n > 64, only even n), are identified. Fullerene derivatives (presumably fullerene + ring complexes) are abundant in the unannealed isomer distributions for La{sub 2}C{sub n}{sup +} (n > 50) clusters, but readily isomerize into regular fullerenes upon collisional heating. 47 refs., 9 figs., 2 tabs.

OSTI ID:
219650
Journal Information:
Journal of the American Chemical Society, Vol. 118, Issue 5; Other Information: PBD: 7 Feb 1996
Country of Publication:
United States
Language:
English

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