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

• Published in: Journal of the American Chemical Society Vol. 139; no. 39; pp. 13608 - 13611
• Main Authors: Dou, Jin-Hu, Sun, Lei, Ge, Yicong, Li, Wenbin, Hendon, Christopher H, Li, Ju, Gul, Sheraz, Yano, Junko, Stach, Eric A, Dincă, Mircea
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 04.10.2017; American Chemical Society (ACS)
• Subjects: coordination polymers; copper; energy; microscopy; nickel; porosity; spectroscopy
• ISSN: 0002-7863; 1520-5126; 1520-5126
• DOI: 10.1021/jacs.7b07234

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.