Tuning Quintet Multiexciton Sublevel Selection via Bridge Resonance in Singlet Fission

Singlet fission enables the generation of spin-entangled triplet pairs and has recently emerged as a promising route to generate quintet multiexcitons for quantum technologies. Despite this promise, a key challenge remains: the reliable control of quintet spin-sublevel populations, which is crucial for quantum information and sensing applications. With the aim of addressing this, we study intramolecular singlet fission in two oligomers, with a pair of tetracene and pentacene derivatives respectively, bridged by an anthracene unit. The tetracene oligomer has closer HOMO-HOMO and LUMO-LUMO energy alignment between chromophore and bridging unit compared to the pentacene oligomer, a property known as "bridge resonance", which leads to stronger intertriplet exchange coupling, and hence different quintet formation mechanisms. We employ continuous-microwave and pulsed electron spin resonance spectroscopy to probe quintet spin-sublevel populations in these oligomers. Our findings confirm that the tetracene oligomer undergoes predominantly strong-exchange quintet formation, yielding well-defined, reproducible spin-sublevel populations. On the other hand, the pentacene oligomer's weak-exchange quintet formation result in more disordered and less-predictable sublevel populations. These results demonstrate that the tuning of bridge resonance offers a strategy for controlling spin dynamics in singlet fission systems, paving the way for engineered multiexciton states tailored for quantum computing and spintronic devices.

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Journal
The Journal of Physical Chemistry Letters
Published
2026-05-22
DOI
https://doi.org/10.1021/acs.jpclett.6c01079
Primary Topic
Advanced NMR Techniques and Applications
Type
article
Field-Weighted Citation Impact
0.00

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article

Tuning Quintet Multiexciton Sublevel Selection via Bridge Resonance in Singlet Fission

Miles I. Collins, Elango Kumarasamy, Chanakarn Phansa, Amir Asadpoordarvish et al.
The Journal of Physical Chemistry Letters
Advanced NMR Techniques and Applications
article

Tuning Quintet Multiexciton Sublevel Selection via Bridge Resonance in Singlet Fission

Miles I. Collins, Elango Kumarasamy, Chanakarn Phansa, Amir Asadpoordarvish, Matthew Y. Sfeir, Dane R. McCamey, Luis M. Campos, Sarah J. Baker, Murad J. Y. Tayebjee, Samuel N. Sanders, Akshay Rao, Andrew B. Pun
article en

Abstract

Singlet fission enables the generation of spin-entangled triplet pairs and has recently emerged as a promising route to generate quintet multiexcitons for quantum technologies. Despite this promise, a key challenge remains: the reliable control of quintet spin-sublevel populations, which is crucial for quantum information and sensing applications. With the aim of addressing this, we study intramolecular singlet fission in two oligomers, with a pair of tetracene and pentacene derivatives respectively, bridged by an anthracene unit. The tetracene oligomer has closer HOMO-HOMO and LUMO-LUMO energy alignment between chromophore and bridging unit compared to the pentacene oligomer, a property known as "bridge resonance", which leads to stronger intertriplet exchange coupling, and hence different quintet formation mechanisms. We employ continuous-microwave and pulsed electron spin resonance spectroscopy to probe quintet spin-sublevel populations in these oligomers. Our findings confirm that the tetracene oligomer undergoes predominantly strong-exchange quintet formation, yielding well-defined, reproducible spin-sublevel populations. On the other hand, the pentacene oligomer's weak-exchange quintet formation result in more disordered and less-predictable sublevel populations. These results demonstrate that the tuning of bridge resonance offers a strategy for controlling spin dynamics in singlet fission systems, paving the way for engineered multiexciton states tailored for quantum computing and spintronic devices.

The Journal of Physical Chemistry Letters
The Graduate Center, CUNY (US), Georgia Institute of Technology (US), City University of New York (US), University of Cambridge (GB), UNSW Sydney (AU), Arctic Research Centre (SE), Photonics (United States) (US), Cavendish Hospital (GB), Division of Materials Science and Engineering (AU), Advanced Science Research Center (JP), Columbia University (US)
Australian Research Council, Division of Materials Research, Division of Graduate Education, Centre of Excellence in Exciton Science
Affordable and clean energy
Openalex Percentile: Top 10%
Advanced NMR Techniques and Applications
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