Abstract:We have investigated the optical absorption, infrared
spectra,
binding energies, and other cluster properties to investigate whether
periodic trends can be observed in the electronic structure of transition
metal chalcogenide clusters ligated with CO ligands. Our studies demonstrate
the existence of several periodic trends in the properties of pure
and mixed octahedral metal chalcogenide clusters, TM6Se8(CO)6 (TM = W–Pt). We find that octahedral
metal chalcogenide clusters with 96, 100, and 114 valence electro… Show more
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