The Raman cross section for the pentagonal pinch mode of C-60 at 1469 cm(-1) has been determined at a laser excitation wavelength lambda(L) = 752.5 nm. The experimental value, d sigma/d Omega = (2.09 +/- 0.29) x 10(-29) cm(2)/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 C-60 within one order of magnitude of the experimental data.

Raman cross section for the pentagonal-pinch mode in buckminsterfullerene C-60

GIANNOZZI, Paolo;
1997-01-01

Abstract

The Raman cross section for the pentagonal pinch mode of C-60 at 1469 cm(-1) has been determined at a laser excitation wavelength lambda(L) = 752.5 nm. The experimental value, d sigma/d Omega = (2.09 +/- 0.29) x 10(-29) cm(2)/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 C-60 within one order of magnitude of the experimental data.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11390/666947
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