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Optically induced charge-transfer in donor-acceptor-substituted p - and m - C₂ B₁₀ H₁₂ carboranes

Wu, Lin; Holzapfel, Marco; Schmiedel, Alexander; Peng, Fuwei; Moos, Michael; Mentzel, Paul; Shi, Junqing; Neubert, Thomas; Bertermann, Rüdiger; Finze, Maik; Fox, Mark A.; Lambert, Christoph; Ji, Lei

Optically induced charge-transfer in donor-acceptor-substituted p - and m - C₂ B₁₀ H₁₂ carboranes Thumbnail


Authors

Lin Wu

Marco Holzapfel

Alexander Schmiedel

Fuwei Peng

Michael Moos

Paul Mentzel

Junqing Shi

Thomas Neubert

Rüdiger Bertermann

Maik Finze

Christoph Lambert

Lei Ji



Abstract

Icosahedral carboranes, C₂ B₁₀ H₁₂, have long been considered to be aromatic but the extent of conjugation between these clusters and their substituents is still being debated. m- and p-Carboranes are compared with m- and p-phenylenes as conjugated bridges in optical functional chromophores with a donor and an acceptor as substituents here. The absorption and fluorescence data for both carboranes from experimental techniques (including femtosecond transient absorption, time-resolved fluorescence and broadband fluorescence upconversion) show that the absorption and emission processes involve strong intramolecular charge transfer between the donor and acceptor substituents via the carborane cluster. From quantum chemical calculations on these carborane systems, the charge transfer process depends on the relative torsional angles of the donor and acceptor groups where an overlap between the two frontier orbitals exists in the bridging carborane cluster.

Citation

Wu, L., Holzapfel, M., Schmiedel, A., Peng, F., Moos, M., Mentzel, P., Shi, J., Neubert, T., Bertermann, R., Finze, M., Fox, M. A., Lambert, C., & Ji, L. (2024). Optically induced charge-transfer in donor-acceptor-substituted p - and m - C₂ B₁₀ H₁₂ carboranes. Nature Communications, 15(1), Article 3005. https://doi.org/10.1038/s41467-024-47384-4

Journal Article Type Article
Acceptance Date Mar 28, 2024
Online Publication Date Apr 8, 2024
Publication Date Apr 8, 2024
Deposit Date Apr 19, 2024
Publicly Available Date Apr 19, 2024
Journal Nature Communications
Electronic ISSN 2041-1723
Publisher Nature Research
Peer Reviewed Peer Reviewed
Volume 15
Issue 1
Article Number 3005
DOI https://doi.org/10.1038/s41467-024-47384-4
Public URL https://durham-repository.worktribe.com/output/2389472

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Copyright Statement
This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.





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