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

Dou, Jin-Hu; Sun, Lei; Ge, Yicong; Li, Wenbin; Hendon, Christopher H.; Li, Ju; Gul, Sheraz; Yano, Junko; Stach, Eric A.; Dincă, Mircea

doi:10.1021/jacs.7b07234.s001

ja7b07234_si_001.pdf (14.15 MB)

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

journal contribution

posted on 2017-09-14, 00:00 authored by Jin-Hu Dou, Lei Sun, Yicong Ge, Wenbin Li, Christopher H. Hendon, Ju Li, Sheraz Gul, Junko Yano, Eric A. Stach, Mircea Dincă

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.