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

Area of Science:

• Coordination Chemistry
• Photochemistry
• Supramolecular Chemistry

Background:

• Development of novel homobimetallic ruthenium(II) complexes for diverse applications.
• Incorporation of 1,10-phenanthroline, triazole-pyridine ligands, and an NDI unit via a spacer.
• Investigating anion-π interactions and their influence on complex properties.

Purpose of the Study:

• To explore the multipurpose applications of the Ru-NDI[PF6]4 complex.
• To understand the electronic interactions between the Ru(II) centers and the NDI unit.
• To evaluate the complex's DNA binding affinity and photocatalytic activity.

Main Methods:

• Solution-state studies: EPR, Photoluminescence (PL), UV-vis, and NMR spectroscopy.
• Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) calculations.
• UV-vis, PL, Circular Dichroism (CD) spectroscopy, Ethidium Bromide (EB) displacement assay, and molecular docking for DNA binding.
• Photocatalysis experiments for organic cross-coupling reactions.

Main Results:

• Selective sequential one-electron transfers to the NDI unit in the presence of F-, enhancing luminescence intensity tenfold.
• Complex exhibits dual binding modes (intercalative and groove) with CT-DNA.
• Demonstrated photocatalytic activity in C-C, C-N, and C-O bond formation, including amidation and alcohol oxidation.

Conclusions:

• The Ru-NDI[PF6]4 complex exhibits tunable photophysical properties and effective DNA interaction.
• The complex serves as a versatile photocatalyst for key organic transformations.
• This study highlights the potential of homobimetallic Ru(II) complexes in materials science and catalysis.