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ZhETF, Vol. 127, No. 4, p. 860 (April 2005)
(English translation - JETP, Vol. 100, No. 4, p. 760, April 2005 available online at )

Meletov K.P., Kourouklis G.A.

Received: October 14, 2004

PACS: 61.48.+c, 62.50.+p, 64.70.Kb, 78.30.Na, 78.55.Kz

DJVU (737.4K) PDF (2162.6K)

The optical Raman and photoluminescence (PL) spectra of the high-pressure hydrogenated fullerene C60 are studied at normal conditions and at high pressure. The Raman spectrum of the most stable hydrofullerene C60H36 contains a large number of peaks related to various isomers of this molecule. Comparison of the experimental data with the results of calculations shows that the most abundant isomers have the symmetries S6, T, and D3d. The Raman spectrum of deuterofullerene C60D36 is similar to that of C60H36, but the frequencies of the C-H stretching and bending modes are shifted due to the isotopic effect. The PL spectrum of hydrofullerene C60H36 is shifted to higher energies by approximately 1 eV with respect to that of pristine C60. The effect of hydrostatic pressure on the Raman and PL spectra of C60H36 has been investigated up to 12 GPa. The pressure dependence of the phonon frequencies exhibits peculiarities at approximately 0.6 GPa and 6 GPa. The changes observed at approximately 0.6 GPa are probably related to a phase transition from the initial orientationally disordered body-centered cubic structure to an orientationally ordered structure. The peculiarity at approximately 6 GPa may be related to a pressure-driven enhancement of the C-H interaction between the hydrogen and carbon atoms belonging to neighboring molecular cages. The pressure-induced shift of the photoluminescence spectrum of C60H36 is very small up to 6 GPa, and a negative pressure shift was observed at higher pressure. All the observed pressure effects are reversible with pressure.

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