A combined experimental and computational study of electron transfer in the light harvesting perylenediimide-poly(p-phenylene) supramolecular dyad

Date

2025-06-01

Author

El-Khouly, Mohamed E.
Kobaisy, Ahmed M.
Yıldırım, Erol
El-Shafei, Ahmed

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A novel supramolecular dyad, composed of the electron-accepting N,N’-di(2-(trimethylammoniumiodide) ethylene) perylenediimide (TAIPDI) and the electron donating electron-donating poly[2,5-bis(3-sulfonatopropoxy)-1,4-phenylenealt-1,4-phenylene] sodium salt (PPPOPSO3), was constructed through ionic and electrostatic interactions. Photophysical studies, including steady-state absorption and fluorescence spectroscopy, revealed a moderate binding constant (∼ 104 M−1) and significant fluorescence quenching of TAIPDI upon complexation with PPPOPSO3. These results indicate efficient electron transfer from the excited state of TAIPDI to PPPOPSO3 within the dyad. Time-resolved fluorescence measurements revealed a rapid (3.88 × 109 s−1) and efficient (0.95) electron transfer in the self-assembled PPPOPSO3-TAIPDI dyad in aqueous medium. Similar electron transfer was observed in methanol with a rate constant (6.29 × 109 s−1) and efficiency (0.97). DFT calculations corroborated the structure, stability, and charge distribution of the dyad. This system's simplicity, broad absorption, and efficient electron transfer make it promising for light-harvesting applications.

Subject Keywords

Density functional theory, Electron-transfer process, Perylenediimide, Poly(p‐phenylene

URI

https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=105000555618&origin=inward
https://hdl.handle.net/11511/114287

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Department of Chemistry, Article