New Luminescent Pyridine-based Disc type Molecules: Synthesis, Photophysical, Electrochemical, and DFT studies

Area of Science:

• Organic Chemistry
• Materials Science
• Photophysics

Background:

• Conjugated luminescent molecules are crucial for optoelectronic devices.
• Intramolecular charge transfer (ICT) is a key mechanism in many applications.
• Developing novel materials with tunable properties is an ongoing research area.

Purpose of the Study:

• To design and synthesize new donor-acceptor based disc-type molecules.
• To investigate the effect of variable alkoxy chain lengths on molecular properties.
• To explore the potential applications of these molecules in optoelectronics.

Main Methods:

• Synthesis of 2,4,6-tris(4-(alkyloxy)phenyl)pyridines with varying alkoxy chains (n=2-16).
• Structural characterization using ATR-IR, 1H-NMR, 13C-NMR, and ESI-MS.
• Photophysical studies (absorption, emission), thermal analysis, and Density Functional Theory (DFT) calculations.

Main Results:

• Successful synthesis and structural confirmation of a series of novel donor-acceptor molecules.
• All synthesized molecules exhibit blue light emission.
• Absorption, emission, and energy levels remain unaffected by alkoxy chain length.
• The molecular core demonstrates high thermal stability up to 350°C.
• DFT studies confirm photo-induced electron transfer via HOMO-LUMO excitation.

Conclusions:

• The synthesized molecules are promising blue light-emitting materials.
• Alkoxy chain length does not significantly alter the photophysical properties.
• High thermal stability and favorable electronic properties suggest potential for optoelectronic applications.
• These compounds represent a valuable addition to the field of luminescent organic materials.