Enthalpy-Entropy Compensation Effect for Triplet Pair Dissociation of Intramolecular Singlet Fission in Phenylene Spacer-Bridged Hexacene Dimers

Shunta Nakamura, Hayato Sakai, Masaaki Fuki, Yasuhiro Kobori, Nikolai V. Tkachenko, Taku Hasobe

研究成果: Article査読

2 被引用数 (Scopus)

抄録

Hexacene (Hc) is highly promising for singlet fission (SF). However, the number of SFs in Hc is extremely limited. As far as Hc dimers in solution are concerned, there is no report on the observation of the dissociation process from a correlated triplet pair (TT) to an individual one. The emphasis in this study is on the first observation of the quantitative TT generation together with the orientation-dependent photophysical discussions for TT dissociation usingpara- andmeta-phenyl-bridged Hc dimers. Moreover, the activation enthalpies of Hc dimers in TT dissociation are smaller than those of pentacene (Pc) dimers, whereas the relative entropic contributions for Gibbs free energy of activation are much larger than the enthalpic ones in both Hc and Pc dimers. This implies that the vibrational motions are responsible for the intramolecular conformation changes associated with the TT dissociation. Consequently, “enthalpy-entropy compensation” has a large impact on the rate constants and quantum yields.

本文言語English
ページ(範囲)6457-6463
ページ数7
ジャーナルJournal of Physical Chemistry Letters
12
28
DOI
出版ステータスPublished - 2021 7月 22

ASJC Scopus subject areas

  • 材料科学(全般)
  • 物理化学および理論化学

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