An aromatic dimetallapolycyclic complex with two rhenapyrylium rings.

Area of Science:

• Organometallic Chemistry
• Materials Science
• Photophysics

Background:

• Polycyclic aromatic hydrocarbons are fundamental in materials science.
• Rhenium-containing complexes offer unique electronic and photophysical properties.
• Metallaaromatic systems are of interest for their stability and tunable characteristics.

Purpose of the Study:

• To synthesize and characterize a novel extended polycyclic metallaaromatic complex.
• To investigate the photophysical properties, specifically absorption in visible and near-infrared regions.
• To elucidate the electronic structure and aromaticity using computational methods.

Main Methods:

• Chemical synthesis of the dirhena-aromatic complex.
• UV-Vis-NIR spectroscopy for absorption analysis.
• Density Functional Theory (DFT) calculations for electronic structure.

Main Results:

• Successful synthesis of an extended polycyclic benzo-rhenapyrylium structure fused with a metallaaromatic ring and benzene unit.
• The dirhena-aromatic complex 4 displays strong absorption in the visible spectrum.
• A significant absorption band was observed in the near-infrared (NIR) region at 842 nm.

Conclusions:

• The synthesized complex represents a novel extension of known polycyclic aromatic systems.
• The observed NIR absorption suggests potential for applications in optical materials.
• DFT calculations provide insights into the aromaticity and electronic behavior of this unique metallaaromatic system.