Effect over the electronic structure by changing the core metals from Mo to W in a family of [Mo6−nWnCl8F6]2− (n = 0-6) clusters

A complete theoretical characterization of a family of [Mo6−nWnCl8F6]2− clusters where n = 0-6, was performed. The UV-Vis transitions are tuned and displaced to higher wavelength by the mixture of Mo and W atoms.