Naphthalene Diimide and Bis‐Heteroleptic Ru(II) Complex‐Based Hybrid Molecule with 3‐in‐1 Functionalities

Multipurpose applications of a newly developed homobimetallic Ru(II) complex, Ru-NDI[PF₆]₄, which incorporates 1,10-phenanthroline and triazole-pyridine ligands and linked via a (-CH₂-)₃ spacer to the reputed anion-π interacting NDI system, are described. Solution-state studies of the bimetallic complex, including EPR, PL, UV-vis, and NMR experiments, reveal two sequential one-electron transfers to the NDI unit, generating NDI⋅^- and NDI^2- in the presence of F^- selectively. This process inhibits the primary electron transfer from Ru(II) to the NDI unit, thereby allowing the ³MLCT-based emission of the complex to be recovered, resulting in a corresponding ten-fold increase in luminescence intensity. DFT and TD-DFT computational studies further elucidate the experimentally observed absorption spectra of the complex. Secondly, CT-DNA binding studies with the complex are performed using various spectroscopic analyses such as UV-vis, PL, and CD. Comparative DNA binding studies employing EB and molecular docking reveal that the binding with CT-DNA occurs through both intercalative and groove binding modalities. Thirdly, the photocatalytic activities of the complex towards C-C, C-N, and C-O bond formation in organic cross-coupling reactions, including the amidation of α-keto acids to amines and the oxidation of alcohol to aldehydes, are also demonstrated.