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要旨

The far-infrared vibrational spectra for charged vanadium clusters with sizes of 3–15 atoms have been measured using infrared multiple photon dissociation of V_n⁺Ar-->V_n⁺+Ar. Using density-functional theory calculations, we calculated the ground state energy and vibrational spectra for a large number of stable and metastable geometries of such clusters. Comparison of the calculated vibrational spectra with those obtained in the experiment allows us to deduce the cluster size specific atomic structures. In several cases, a unique atomic structure can be identified, while in other cases our calculations suggest the presence of multiple isomers.