Rhodium(III) complex with pyrene-pyridyl-hydrazone: synthesis, structure, ligand redox, spectral characterization and DFT calculation

Abstract

Abstract: The pyridylhydrazone ligand incorporating a pendant pyrene moiety HL has been synthesized starting from 2-hydrazinopyridine and its coordinating behaviour towards rhodium(III) have been scrutinized. The complex of type [RhL(PPh3)2Cl2], incorporating five-membered chelate ring has been isolated and the structure has been authenticated by single-crystal X-ray diffraction study. The ligand exhibits an oxidative response at ∼ 1.2 V upon coordination with rhodium(III) and the optoelectronic properties as well as theoretical exploration have been performed by the density functional theory (DFT) as well as time-dependent density functional theory (TD-DFT) analyses. Graphical Abstract: A new rhodium complex [RhL(PPh3)2Cl2] incorporating monoanionic polycyclic aromatic hydrocarbon (PAH) based hydrazone ligand were synthesized and the optoelectronic properties were explored.