Paramagnetic Conducting Metal–Organic Frameworks with Three‐Dimensional Structure

Abstract3D well‐crystallized metal–organic frameworks (MOFs), M‐THBQ (M=Fe, Co, Mn, THBQ=tetrahydroxybenzoquinone), are synthesized and characterized. Their structures are determined as cubic cell in the group of Pm from powder X‐ray diffraction data, and their properties of electronic, magnetic and spectroscopic are also investigated. They are all semiconductors, and Fe‐THBQ exhibits the air‐stable n‐type thermoelectric characteristic as its Seebeck coefficient reaches −130 μV K−1, and the electrical conductivity is 2.7×10−4 S cm−1 at 300 K. Additional, M‐THBQ are paramagnetic, and the value of Weiss constant of Fe‐THBQ is −219.37 K, indicating the existence of robust intramolecular antiferromagnetic exchanges. Meanwhile, they display strong absorption bands in the range of 220 to 1000 nm, suggest M‐THBQ could have the potential to become photoabsorbers, and Fe‐THBQ exhibits a narrow band gap of 0.63 eV according to the ultraviolet absorption edge spectrum.