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Single-Carbon Bridged Pentacene Dimers Enable Efficient Singlet Fission and Quintet State Stabilization
Journal article   Peer reviewed

Single-Carbon Bridged Pentacene Dimers Enable Efficient Singlet Fission and Quintet State Stabilization

Chao-Hsien Hsu, Yi-Ching Liao, Chu-Chun Cheng, Bo-Han Wu, Chou-Hsun Yang, Chao-Ping Hsu, Bo-Han Chen, Shang-Da Yang, Yuling Hsu, Li-Kang Chu, …
Journal of the American Chemical Society, Vol.148(4), pp.4062-4073
04/02/2026
PMID: 41577472

Abstract

Chemistry Chemistry, Multidisciplinary Physical Sciences Science & Technology
Singlet fission (SF) offers a promising avenue for quantum information science, as it generates spin-entangled triplet pairs with quintet character (5TT) upon photoexcitation, enabling access to multilevel spin qubit states beyond the traditional two-level systems. However, the 5TT state often decays via several pathways: (1) dissociation into isolated triplets; (2) triplet-triplet annihilation back into the singlet manifold; or (3) spin conversion to lower-multiplicity triplet pair states. These competing relaxation channels pose a major challenge for stabilizing 5TT. Here, we introduce a novel molecular design that prolongs 5TT lifetime by anchoring two pentacene chromophores to the same carbon (C9) position of a fluorene bridge, yielding FlePc2 and FlePhPc2. This single-point attachment enforces a near-parallel intramolecular geometry, promoting strong through-space spin interactions that hinder dissociation. Field-swept electron spin echo (FS-ESE) measurements reveal dominant 5TT signals, indicative of suppressed relaxation pathways. Theoretical calculations predict a substantial binding energy for the reported dimers, accompanied by significant spin density delocalization across both pentacenes, thereby rationalizing 5TT stabilization. These findings establish a molecular design principle for kinetically trapping high-spin multiexciton states, paving the way for spin-based quantum technologies.
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https://doi.org/10.1021/jacs.5c14851View
Published (Version of record) Open

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