Efficient singlet fission in an orthogonal anthracene dimer film

Zhou, Jun; Wang, Xiangyang; Wang, Weijie; Liu, Heyuan; Wang, Tianying; Song, Xiaojuan; Li, Zhi; Liu, Zhaobin; Chen, Yanli; Li, Xiyou

doi:10.1039/d2qm00531j

Cited by 1 publication

(1 citation statement)

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“…The last possible mechanism is singlet fission (SF) [69] . It has been reported before that, despite of the significant endothermicity between S 1 and triplet pair (E 2XT1 –E S1 >0.4 eV), [70] an An chromophore and its derivatives can undergo intermolecular SF in crystals or thin films, [71–76] whereas intramolecular SF channel is not activated in the dimer in the solution phase [77–80] . This is presumably due to the efficient orbital interaction between adjacent chromophores in the solid phase, which could activate the CT‐mediated mechanism [52,81,82] .…”

Section: Resultsmentioning

confidence: 99%

Tuning Symmetry‐Breaking Charge Transfer by Altering Connectivity Between Anthracene Chromophores

Kang,

Kim

2023

ChemPhotoChem

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In this study, we report on the dynamics of symmetry‐breaking charge transfer (SB‐CT) in a specific derivative of bianthracene, 9,9’,10,10’‐tetraphenyl‐2,2’‐bianthracene (TPBA). Unlike the conventional 9,9’‐bianthracene, TPBA exhibits a notably planar structure due to reduced steric hindrance between anthracene chromophores. This structural characteristic results in a pronounced short‐range charge transfer coupling, driven by substantial overlap integrals of hole and electron. This is in contrast to the 9,9’‐bianthracene case, where long‐range Coulombic coupling dominates while minimizing short‐range interactions. Consequently, TPBA reveals an adiabatic mixture between locally‐excited and charge‐transfer diabats, where the extent of their contributions is modulated by the dielectric properties of the surrounding environment. Furthermore, our investigation reveals that the SB‐CT reaction in TPBA is mainly influenced by solvation dynamics, akin to other molecules displaying SB‐CT. Additionally, the dynamics of triplet formation in TPBA vary depending on the solvent polarity. These findings underscore the significance of chromophore connectivity in efficiently manipulating excited‐state potential energy landscapes.

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