Excited state character of Cibalackrot-type compounds interpreted in terms of Hückel-aromaticity: a rationale for singlet fission chromophore design

Author:

Zeng Weixuan1234ORCID,El Bakouri Ouissam5678ORCID,Szczepanik Dariusz W.910111213ORCID,Bronstein Hugo123414ORCID,Ottosson Henrik5678ORCID

Affiliation:

1. Department of Chemistry

2. University of Cambridge

3. Cambridge

4. UK

5. Department of Chemistry – Ångström Laboratory

6. Uppsala University

7. 751 20 Uppsala

8. Sweden

9. Department of Theoretical Chemistry

10. Faculty of Chemistry

11. Jagiellonian University

12. 30-387 Kraków

13. Poland

14. Cavendish Laboratory

Abstract

Cibalackrot-type compounds are Hückel instead of Baird aromatic in their first triplet states (T1). By choice of substituents and additional benzannelation we adjust the T1 energies, providing a new strategy for singlet fission chromophore design.

Funder

Wenner-Gren Stiftelserna

Vetenskapsrådet

H2020 Marie Skłodowska-Curie Actions

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

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