RAMAN ROTATIONAL SPECTRA OF ENDOHEDRAL C-60 FULLERENE COMPLEXES

摘要

Low-temperature (T = 50 K) Raman rotational spectra are calculated for the endohedral complexes Li+@C-60, Na+@C-60, CO@C-60, LiF@C-60, and LiH@C-60. The systems Na+@C-60 and CO@C-60 produce very similar spectra dominated by pure rotational bands. The other systems present more complex and dissimilar spectra which suggest librational motions and hindered rotations. An assignment of these spectra is provided by analyzing the structure of the low energy rotational eigenvalues and eigenfunctions. Rotational energy quasiband and quasiresonance-band structures are found to be the origin of the features observed in the more complex spectra. Out of these analyses, a classification of the low-temperature rotational spectra of endohedral C-60 complexes in two basic classes emerges. (C) 1996 American Institute of Physics. [References: 16]