Abstract
The Raman spectrum of C60 was calculated for molecular samples containing carbon isotopes with natural abundance. The results confirm experimental results indicating that isotopic perturbations are not an important source of silent-mode Raman activity. Detailed predictions for the Raman spectrum of C60 in gas phases or isolating matrices are presented. The accuracy of the theoretical calculations was maximized by using experimental vibrational wavenumbers and bond polarizability parameters fitted to experimental data.
Original language | English (US) |
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Pages (from-to) | 380-387 |
Number of pages | 8 |
Journal | Journal of Raman Spectroscopy |
Volume | 34 |
Issue number | 5 |
DOIs | |
State | Published - May 1 2003 |
Keywords
- Bond polarizability
- Buckminsterfullerene
- C
- Isotope effects
ASJC Scopus subject areas
- General Materials Science
- Spectroscopy