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

Abstract

The two-dimensionally connected metal-organic frameworks (MOFs) Ni₃(HIB)₂ and Cu₃(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.