Optical Waveguiding Charge-Transfer Cocrystals: Examining the Impact of Molecular Rotations on Their Photoluminescence
Here, we present the first example of a binary optical waveguiding (OWG) cocrystal with large anisotropy featuring a fluorinated acceptor molecule (CPP-TFPN, <b>1</b>) with on-plane rotational dynamics, confirmed by solid-state NMR (<sup>19</sup>F <i>T</i><sub>1</sub>) and theoretical calculations. Spatially resolved microphotoluminescence and variable-temperature photoluminescence experiments allowed us to examine the OWG performance and photophysical properties of both single crystals and bulk microcrystalline samples. A comparison with an analogous cocrystal containing a regioisomeric acceptor (CPP-TFTN, <b>2</b>) revealed that the photoluminescence characteristics of <b>1</b> are associated with the rotational motions of the acceptor, offering insights into how the molecular motion changes this property.
Authors
- Braulio Rodríguez‐Molina (ORCID: https://orcid.org/0000-0002-1851-9957)
- Armando Navarro‐Huerta (ORCID: https://orcid.org/0000-0002-4144-894X)
- Martin Dračínský (ORCID: https://orcid.org/0000-0002-4495-0070)
- Pingyu Jiang (ORCID: https://orcid.org/0009-0007-8313-3413)
- Mingoo Jin (ORCID: https://orcid.org/0000-0001-6199-8802)
- Simon J. Teat (ORCID: https://orcid.org/0000-0001-9515-2602)
- Jan Blahut (ORCID: https://orcid.org/0000-0001-7752-8370)
- Alexander S. Mikherdov (ORCID: https://orcid.org/0000-0002-6471-5158)
- Takumi Matsuo (ORCID: https://orcid.org/0000-0002-0874-4798)
- Shotaro Hayashi (ORCID: https://orcid.org/0000-0001-8703-6740)
- Erika Bartůňková (ORCID: https://orcid.org/0009-0008-7374-5368)
Institutions
- Lawrence Berkeley National Laboratory (US)
- Czech Academy of Sciences (CZ)
- Hokkaido University (JP)
- Kochi University of Technology (JP)
- Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry (CZ)
- Advanced Light Source
- Universidad Nacional Autónoma de México (MX)
Publication Details
- Journal
- Journal of the American Chemical Society
- Published
- 2025-02-26
- DOI
- https://doi.org/10.1021/jacs.4c15957
- Citations
- 19
- Primary Topic
- Crystallography and molecular interactions
- Type
- article
- Field-Weighted Citation Impact
- 33.31
Funders
- U.S. Department of Energy
- Ministerstvo Školství, Mládeže a Tělovýchovy
- Consejo Nacional de Ciencia y Tecnología
- Office of Science
- Dirección General de Asuntos del Personal Académico, Universidad Nacional Autónoma de México