Structural and bonding properties of ScSin- (n=2 similar to 6) clusters: photoelectron spectroscopy and density functional calculations

Anion ion photoelectron spectroscopy and density functional theory (DFT) are used to investigate the electronic and structural properties of ScSin- (n = 2 similar to 6) clusters and their neutrals. We find that the structures of ScSin- are similar to those of Si-n+1(-). The most stable isomers of ScSin- cluster anions and their neutrals are similar for n=2, 3 and 5 but different for n=4 and 6, indicating that the charge effect on geometry is size dependent for small scandium-silicon clusters. The low electron binding energy (EBE) tails observed in the spectra of ScSi4,6- can be explained by the existence of less stable isomers. A comparison between ScSin- and VSin- clusters shows the effects of metal size and electron configuration on cluster geometries