Discovery of a silicon-based ferrimagnetic wheel structure in VxSi12- (x=1-3) clusters: photoelectron spectroscopy and density functional theory investigation

Our studies show that VSi12- adopts a V-centered hexagonal prism with a singlet spin state. The addition of the second V atom leads to a capped hexagonal antiprism for V2Si12- in a doublet spin state. Most interestingly, V3Si12- exhibits a ferrimagnetic, bicapped hexagonal antiprism wheel-like structure with a total spin of 4 mu(B).