# Planar versus Twist: Two Conformers of a 5,7,12,14-Tetrakis(triisopropylsilylethynyl)pentacene in the Solid State

https://mdr.nims.go.jp/datasets/e11c0e41-481d-4849-a48b-b49a6f392385

## File

- [planar-versus-twist-two-conformers-of-a-5-7-12-14-tetrakis(triisopropylsilylethynyl)pentacene-in-the-solid-state.pdf](https://mdr.nims.go.jp/filesets/0d27c8f8-f9ef-4858-92e5-d6dbc86fe17e/download) ([Detail](https://mdr.nims.go.jp/filesets/0d27c8f8-f9ef-4858-92e5-d6dbc86fe17e.md))

## Id

e11c0e41-481d-4849-a48b-b49a6f392385

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-12-09T10:32:48.615095Z

## Updated at

2025-12-10T03:30:06.538792Z

## Published at

2025-12-10T03:23:55.995363Z

## Doi



## First published url

https://doi.org/10.1021/acs.orglett.5c03674

## Date published

2025-11-07

## Recorded date published

2025-11-7

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: 'Planar versus Twist: Two Conformers of a 5,7,12,14-Tetrakis(triisopropylsilylethynyl)pentacene
    in the Solid State'
  title_type: original
  lang: en

## Description

- description: We synthesized 4TIPS-pen, a pentacene derivative bearing TIPS-ethynyl
    groups at the 5,7,12,14-positions via a modified route. The compound showed polymorphism,
    forming green crystals with a twisted backbone and blue crystals with a planar
    backbone. UV–vis spectra and theoretical calculations revealed distinct optical
    behaviors linked to structural differences. 4TIPS-pen is photounstable, and we
    confirmed the product structure using X-ray analysis. These results highlight
    structure–property relationships and offer design guidelines for extended π-conjugated
    pentacenes.
  description_type: abstract
  lang: und

## Creator

- name: Satoshi Tanaka
  role: author
- name: Ryoko Oyama
  role: author
- name: Mitsuharu Suzuki
  role: author
  orcid: https://orcid.org/0000-0002-0121-2561
- name: Hironobu Hayashi
  role: author
  orcid: https://orcid.org/0000-0002-7872-3052
- name: Hiroko Yamada
  role: author
  orcid: https://orcid.org/0000-0002-2138-5902
- name: Naoki Aratani
  role: author
  orcid: https://orcid.org/0000-0002-3181-6526

## Contact agent



## Publisher

organization: American Chemical Society (ACS)

## Managing organization



## Keyword

- subject: aromatic compounds
  schema: not_defined
- subject: crystal structure
  schema: not_defined
- subject: crystals
  schema: not_defined
- subject: hydrocarbon
  schema: not_defined
- subject: reaction product
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: Organic Letters
  issn: '15237060'
  volume: '27'
  issue: '44'
  start_page: 12255
  end_page: 12258

## Conference



## Related item



## Funding

- funder_name: Nara Institute of Science and Technology
- identifier: JPMXP1225NR5003
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: J41-23
  funder_name: Casio Science Promotion Foundation
- identifier: JP20H05833
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: JP23K26480
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: JP24K01553
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: JP24K01576
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: JP24K23087
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: JP25K01751
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- funder_name: Masuyakinen basic research foundation

## 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



## Software



## Custom property



## Fileset

- id: 0d27c8f8-f9ef-4858-92e5-d6dbc86fe17e
  filename: planar-versus-twist-two-conformers-of-a-5-7-12-14-tetrakis(triisopropylsilylethynyl)pentacene-in-the-solid-state.pdf
  content_type: application/pdf
  size: 2807325
  md5: dffb6899cf9cab6b8f9f25796edd130b

## Thumbnail

fileset_id: 0d27c8f8-f9ef-4858-92e5-d6dbc86fe17e
filename: planar-versus-twist-two-conformers-of-a-5-7-12-14-tetrakis(triisopropylsilylethynyl)pentacene-in-the-solid-state.pdf