Tuning electronic structures of uranyl fluorides via increasing equatorial pyridyl number and extending pyridyl conjugation

Electronic structures are capable of being tuned by incorporating monopyridine and polypyridine into uranyl complexes. The increase of monopyridine ligands plays a more and more important role in the frontier molecular orbitals, while the incorporation of polypyridine into 1a to form 2a-4a causes more participation of π∗(polypyridyl) in the unoccupied orbitals.