Fig. 4
From: A diuranium carbide cluster stabilized inside a C80 fullerene cage
Observed and theoretically predicted vibrational features of UCU@Ih(7)-C80. The left upper curve (black) presents the observed Infrared absorption (IR) spectrum vs. wavenumber from 1600 to 600 cm‒1, with quantum-chemical density-functional simulation below (in blue). On the right is the observed Raman emission (in red) vs. wavenumber from 600 to 100 cm‒1, with calculated wavenumbers (‘Theor. Freqs.’) in the 600–0 cm‒1 range (below in magenta). Observed local UCU vibrations above 100 cm‒1 are indicated by heavy dots. Observed and calculated spectral C80-cage features represent either a single mode, or an overlay of several near-degenerate ones. indicates a contamination by CS2
