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 NDI2− 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. [ABSTRACT FROM AUTHOR]