Cage-like Au32 detected by calculated optical spectroscopy

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The optical absorptions of different Au32 isomers in the whole frequency range from the far-infrared (FIR) to near-ultraviolet (UV) have been calculated using the relativistic density-functional method in order to identify their geometrical structures. It is found that there exists a distinctive difference between the absorption spectra of the icosahedral cage-like Au32 and its amorphous isomers. The former shows significant absorption peaks in the visible and near-UV range, and a characteristic FIR-active mode at 46 cm-1, making it possible to be distinguished unambiguously from others, which suggests that the optical spectra can thus be used as an efficient experimental tool to detect the "golden fullerene".