Phosphonate Metal-Organic Frameworks: A Novel Family of Semiconductors

Herein is reported the first semiconducting and magnetic phosphonate metal-organic framework (MOF), TUB75, which contains a one-dimensional inorganic building unit composed of a zig-zag chain of corner-sharing copper dimers. The solid-state UV-Vis spectrum of TUB75 reveals the existence of a narrow band gap of 1.4 eV, which agrees well with the 1.77 eV one obtained from DFT calculations. Magnetization measurements show that TUB75 is composed of antiferromagnetically coupled copper dimer chains. Due to their rich structural chemistry and exceptionally high thermal/chemical stabilities, phosphonate MOFs like TUB75 may open new vistas in engineerable electrodes for supercapacitors.