STRUCTURES AND ISOTOPE EFFECTS OF FULLERENE HYDRIDES

Citation
Ta. Claxton et Sfj. Cox, STRUCTURES AND ISOTOPE EFFECTS OF FULLERENE HYDRIDES, Hyperfine interactions, 86(1-4), 1994, pp. 779-788
Citations number
11
Categorie Soggetti
Physics, Atomic, Molecular & Chemical","Physics, Nuclear","Physics, Condensed Matter
Journal title
ISSN journal
03043843
Volume
86
Issue
1-4
Year of publication
1994
Pages
779 - 788
Database
ISI
SICI code
0304-3843(1994)86:1-4<779:SAIEOF>2.0.ZU;2-3
Abstract
A summary account is given of various aspects of the structure and spi n density distribution for the different isotopomers of C60X (X = H, M u) and for the different isomers Of C70Mu. The rigidity of the C60X st ructure is exploited in describing the origin of the zero point hyperf ine isotope effect. Ab initio Hartree-Fock calculations suggest that t he deformation to the C60 cage is highly localised and emphasizes the alkene nature Of C60. Addition Of muonium to C70 results in 5 possible structures for C70Mu, 3 with alkene and 2 with arene character.