# Observation of Photophysical Processes of a Heptacene Derivative: Monomeric Behavior in Homogeneous Solution and Singlet Fission in Thin Film

https://mdr.nims.go.jp/datasets/e30db8c9-c095-4160-ad5e-8ecec0eb9d26

## File

- [observation-of-photophysical-processes-of-a-heptacene-derivative-monomeric-behavior-in-homogeneous-solution-and-singlet.pdf](https://mdr.nims.go.jp/filesets/d4e888aa-d062-40c9-99c4-fcbb6ac9ae8a/download) ([Detail](https://mdr.nims.go.jp/filesets/d4e888aa-d062-40c9-99c4-fcbb6ac9ae8a.md))

## Id

e30db8c9-c095-4160-ad5e-8ecec0eb9d26

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2026-04-10T08:38:41.755628Z

## Updated at

2026-04-12T23:56:08.805858Z

## Published at

2026-04-13T01:23:12.331155Z

## Doi



## First published url

https://doi.org/10.1021/jacs.5c14689

## Date published

2026-02-18

## Recorded date published

2026-2-18

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: 'Observation of Photophysical Processes of a Heptacene Derivative: Monomeric
    Behavior in Homogeneous Solution and Singlet Fission in Thin Film'
  title_type: original
  lang: en

## Description

- description: A soluble heptacene derivative, 5,9,14,18-tetrakis(triisopropylsilylethynyl)-heptacene
    (TIPS-Hep), was synthesized in situ from an α-diketone precursor via the Strating–Zwanenburg
    reaction, and its photophysical properties were comprehensively characterized
    in both solution and thin-film states. In deoxygenated dilute tetrahydrofuran
    (THF) solution, TIPS-Hep exhibited monomeric behavior. Absorption peaks were observed
    at 671, 737, 820, and 970 nm, accompanied by a shoulder at 870 nm, while fluorescence
    peaks were observed at 894 and 961 nm with a fluorescence lifetime (τs) of <100
    ps. Nanosecond transient absorption spectroscopy revealed a triplet lifetime (τT)
    of 19 μs and a triplet quantum yield (ΦISC) of ∼2%. The short excited-state lifetime
    in dilute solution was estimated to be 87 ps by femtosecond transient absorption
    spectroscopy and precludes efficient molecular encounters, indicating that singlet
    fission is unlikely and that intersystem crossing serves as the dominant pathway
    for triplet formation. This interpretation is supported by transient decay analysis,
    which revealed no kinetic signatures associated with SF. In contrast, solution-processed
    thin films of TIPS-Hep, generated in situ by photoirradiation of a spin-coated
    α-diketone precursor, exhibited faster and enhanced formation of the triplet excited
    states. Since multiple excited species are involved, several kinetic models were
    examined, and a sequential model based on a SF pathway (S1 + S0 → TT → 2T1) was
    identified as the most consistent with the experimental results. Global analysis
    of femtosecond transient absorption data with the sequential SF model assuming
    three species revealed high yields of correlated triplet pairs (TT, 75% at the
    maximum value of 100%) and independent triplets (T1, 20% at the maximum value
    of 200%). These results provide valuable mechanistic insights into the excited-state
    dynamics of higher acenes.
  description_type: abstract
  lang: und

## Creator

- name: Shinjiro Suzuki
  role: author
- name: Hayato Sakai
  role: author
- name: Mitsuaki Yamauchi
  role: author
  orcid: https://orcid.org/0000-0003-0005-5960
- name: Hironobu Hayashi
  role: author
  orcid: https://orcid.org/0000-0002-7872-3052
- name: Yoshiyuki Mizuhata
  role: author
  orcid: https://orcid.org/0000-0001-5301-0024
- name: Tatsuhisa Kato
  role: author
- name: Takashi Hirose
  role: author
  orcid: https://orcid.org/0000-0002-5351-2101
- name: Taku Hasobe
  role: author
  orcid: https://orcid.org/0000-0002-4728-9767
- name: Hiroko Yamada
  role: author
  orcid: https://orcid.org/0000-0002-2138-5902

## Contact agent



## Publisher

organization: American Chemical Society (ACS)

## Managing organization



## Keyword

- subject: Singlet fission
  schema: not_defined
- subject: higher acene
  schema: not_defined
- subject: excited-state dynamics
  schema: not_defined
- subject: photoreaction
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by-nc-nd/4.0/

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: Journal of the American Chemical Society
  issn: '00027863'
  volume: '148'
  issue: '6'
  start_page: 6000
  end_page: 6011

## Conference



## Related item



## Funding

- identifier: JP20H05833, JP23H04876, JP24H01714, JP24H01713
  funder_name: Japan Society for the Promotion of Science
- identifier: JP25K01751, JP24K01473, JP22K14556, JP24K01576,
  funder_name: Japan Society for the Promotion of Science
- identifier: JPJSBP120243209
  funder_name: Japan Society for the Promotion of Science
- funder_name: Nagase Science Technology Foundation
- funder_name: Tokyo Ohka Foundation for The Promotion of Science and Technology

## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



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## Fileset

- id: d4e888aa-d062-40c9-99c4-fcbb6ac9ae8a
  filename: observation-of-photophysical-processes-of-a-heptacene-derivative-monomeric-behavior-in-homogeneous-solution-and-singlet.pdf
  content_type: application/pdf
  size: 4470518
  md5: '09ddf8b184b38f5d0b45039ccde8adfa'

## Thumbnail

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filename: observation-of-photophysical-processes-of-a-heptacene-derivative-monomeric-behavior-in-homogeneous-solution-and-singlet.pdf