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

El-Khouly, Mohamed E. ; Kobaisy, Ahmed M. LU ; Yildirim, Erol and El-Shafei, Ahmed (2025) In Journal of Molecular Liquids 427.
Abstract

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... (More)

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.

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organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Density functional theory, Electron-transfer process, Perylenediimide, Poly(p‐phenylene
in
Journal of Molecular Liquids
volume
427
article number
127342
publisher
Elsevier
external identifiers
  • scopus:105000555618
ISSN
0167-7322
DOI
10.1016/j.molliq.2025.127342
language
English
LU publication?
yes
id
d2a88c8d-c59f-4e3d-a090-396d9fca3735
date added to LUP
2025-08-18 14:50:58
date last changed
2025-10-14 11:50:59
@article{d2a88c8d-c59f-4e3d-a090-396d9fca3735,
  abstract     = {{<p>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 (PPPOPSO<sub>3</sub>), was constructed through ionic and electrostatic interactions. Photophysical studies, including steady-state absorption and fluorescence spectroscopy, revealed a moderate binding constant (∼ 10<sup>4</sup> M<sup>−1</sup>) and significant fluorescence quenching of TAIPDI upon complexation with PPPOPSO<sub>3</sub>. These results indicate efficient electron transfer from the excited state of TAIPDI to PPPOPSO<sub>3</sub> within the dyad. Time-resolved fluorescence measurements revealed a rapid (3.88 × 10<sup>9</sup> s<sup>−1</sup>) and efficient (0.95) electron transfer in the self-assembled PPPOPSO<sub>3</sub>-TAIPDI dyad in aqueous medium. Similar electron transfer was observed in methanol with a rate constant (6.29 × 10<sup>9</sup> s<sup>−1</sup>) 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.</p>}},
  author       = {{El-Khouly, Mohamed E. and Kobaisy, Ahmed M. and Yildirim, Erol and El-Shafei, Ahmed}},
  issn         = {{0167-7322}},
  keywords     = {{Density functional theory; Electron-transfer process; Perylenediimide; Poly(p‐phenylene}},
  language     = {{eng}},
  publisher    = {{Elsevier}},
  series       = {{Journal of Molecular Liquids}},
  title        = {{A combined experimental and computational study of electron transfer in the light harvesting perylenediimide-poly(p-phenylene) supramolecular dyad}},
  url          = {{http://dx.doi.org/10.1016/j.molliq.2025.127342}},
  doi          = {{10.1016/j.molliq.2025.127342}},
  volume       = {{427}},
  year         = {{2025}},
}