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PreprintCC BYChemRxiv

Cross-Conjugation Effect in Benzotrithiophene-Based Covalent Organic Frameworks

  • Mohammad Hossein Gohari1,2
  • Chang Wan Kang1,2
  • Pegah Ghamari1,2
  • Cory Ruchlin1,2
  • Ting Yu1,2
  • Dmytro F. Perepichka1,2
  1. 1Department of Chemistry
  2. 2McGill University,801 Sherbrooke St. W.
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Abstract

Bandgap engineering in covalent organic frameworks (COFs) is critical for their optoelectronic and photocatalytic applications, but it remains far less developed compared to linear p-conjugated polymers. Here, we demonstrate that permutation of π-conjugation pathway provides a general strategy to tune the electronic structure of covalent organic frameworks (COFs). An asymmetric benzotrithiophene ( A BTT) node enables a more efficient electron delocalization compared to its commonly used symmetric analogue ( S BTT), resulting in ∼0.05–0.2 eV band-gap contraction and improved charge-transport properties in corresponding COFs, with electrical conductivity up to 1.6×10 –1 S cm –1 in iodine-doped films.

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Cite

BibTeXRIS
BibTeX
@misc{gohari2026crossconjugation,
  title = {{Cross-Conjugation Effect in Benzotrithiophene-Based Covalent Organic Frameworks}},
  author = {Mohammad Hossein Gohari and Chang Wan Kang and Pegah Ghamari and Cory Ruchlin and Ting Yu and Dmytro F. Perepichka},
  howpublished = {ChemRxiv},
  year = {2026},
  month = sep,
  doi = {10.26434/chemrxiv.15008826/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008826/v1},
  note = {CC BY},
}
RIS
TY  - UNPB
TI  - Cross-Conjugation Effect in Benzotrithiophene-Based Covalent Organic Frameworks
AU  - Mohammad Hossein Gohari
AU  - Chang Wan Kang
AU  - Pegah Ghamari
AU  - Cory Ruchlin
AU  - Ting Yu
AU  - Dmytro F. Perepichka
PY  - 2026
DA  - 2026/09/14
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15008826/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008826/v1
AB  - Bandgap engineering in covalent organic frameworks (COFs) is critical for their optoelectronic and photocatalytic applications, but it remains far less developed compared to linear p-conjugated polymers. Here, we demonstrate that permutation of π-conjugation pathway provides a general strategy to tune the electronic structure of covalent organic frameworks (COFs). An asymmetric benzotrithiophene ( A BTT) node enables a more efficient electron delocalization compared to its commonly used symmetric analogue ( S BTT), resulting in ∼0.05–0.2 eV band-gap contraction and improved charge-transport properties in corresponding COFs, with electrical conductivity up to 1.6×10 –1 S cm –1 in iodine-doped films.
ER  -