Raman cross section for the pentagonal-pinch mode in buckminsterfullerene C60

J. D. Lorentzen, S. Guha, Jose Menendez, P. Giannozzi, S. Baroni

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The Raman cross section for the pentagonal pinch mode of C60 at 1469 cm-1 has been determined at a laser excitation wavelength λL = 752.5 nm. The experimental value, dσ/dΩ = (2.09 ± 0.29) × 10-29 cm2/sr, is found to be in good agreement with predictions from an ab initio calculation based on density functional perturbation theory. A simple bond polarizability model with parameters obtained from hydrocarbon Raman measurements yields Raman intensities in C60 within one order of magnitude of the experimental data.

Original languageEnglish (US)
Pages (from-to)129-134
Number of pages6
JournalChemical Physics Letters
Issue number1-2
StatePublished - May 16 1997


ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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