INFRARED-SPECTRUM OF 2 FULLERENE DERIVATIVES - C60O AND C61H2

Citation
G. Cardini et al., INFRARED-SPECTRUM OF 2 FULLERENE DERIVATIVES - C60O AND C61H2, Journal of physical chemistry, 98(40), 1994, pp. 9966-9971
Citations number
32
Categorie Soggetti
Chemistry Physical
ISSN journal
00223654
Volume
98
Issue
40
Year of publication
1994
Pages
9966 - 9971
Database
ISI
SICI code
0022-3654(1994)98:40<9966:IO2FD->2.0.ZU;2-M
Abstract
The infrared spectra of two fullerene derivatives, C60O and C61H2, hav e been measured in the 4000-200 cm(-1) frequency range between 10 K an d room temperature. Due to symmetry lowering with respect to C-60, the infrared activity favors the assignment of the C-60 Silent modes. The experimental results are compared with vibrational calculations based on semiempirical methods. The frequencies of the epoxide and CH2 brid ges have been identified in the spectrum and correlated with calculate d values. Both the O and CH2 bridges cause local perturbations of the C-60 cluster and do not significantly change the vibrations of the cag e. Temperature effects on the infrared spectra are briefly discussed.