Signature of Metallic Behavior in the Metal-Organic Frameworks M3(hexaiminobenzene)2 (M = Ni, Cu)

The two-dimensionally connected metal organic frameworks (MOFs) Ni-3(HIB)(2) and Cu-3(HIB)(2) (HIB = hexaiminobenzene) are bulk electrical conductors and exhibit ultraviolet-photoelectron spectroscopy (UPS) signatures expected of metallic solids. Electronic band structure calculations confirm that in both materials the Fermi energy lies in a partially filled delocalized band. Together with additional structural characterization and microscopy data, these results represent the first report of metallic behavior and permanent porosity coexisting within a metal organic framework.