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

El-Khouly M. E., Kobaisy A. M., YILDIRIM E., El-Shafei A.

Journal of Molecular Liquids, cilt.427, 2025 (SCI-Expanded, Scopus) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 427
  • Basım Tarihi: 2025
  • Doi Numarası: 10.1016/j.molliq.2025.127342
  • Dergi Adı: Journal of Molecular Liquids
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, Chimica, Compendex, INSPEC
  • Anahtar Kelimeler: Density functional theory, Electron-transfer process, Perylenediimide, Poly(p‐phenylene
  • Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

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.