DOI: 10.1002/chem.71540 ISSN: 0947-6539

Electronic‐State Localization Limits Charge Transport in a MIL‐88B‐Type Mixed‐Valence Iron MOF

Robert Markowski, Géraldine Chanteux, Tom Goossens, Mengmeng Wang, Petru Apostol, Augustin Ramackers, Taniya Purkait, Vasudeva Rao Bakuru, Koen Robeyns, Cristian Morari, Yann Garcia, Darsi Rambabu, Alexandru Vlad

ABSTRACT

We report a new sulfonamide–terephthalate linker, 2,5‐di(methylsulfonamido)terephthalic acid (H 4 ‐DSATA), and its incorporation into a MIL‐88B‐type mixed‐valence iron MOF, [(Fe 2+ Fe 3+ 2 )(μ 3 ‐O)(H 2 ‐DSATA) 3 •3DMF]. Despite mixed‐valence Fe nodes and a redox‐active ligand environment, the framework shows limited electronic transport, which DFT attributes to strong electronic‐state localization near the Fe─O units.

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