# Local Probe-Induced Structural Isomerization in a One-Dimensional Molecular Array

https://mdr.nims.go.jp/datasets/365c6cba-5b5f-4e72-9266-43f698124811

## Files

- [20231125 Nat Com 2023_14_7741 s41467-023-43659-4.pdf](https://mdr.nims.go.jp/filesets/c0ae2e4f-138e-4c0d-b4ef-946e8bebcf81/download) ([Detail](https://mdr.nims.go.jp/filesets/c0ae2e4f-138e-4c0d-b4ef-946e8bebcf81.md))

## Id

365c6cba-5b5f-4e72-9266-43f698124811

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2023-12-21T06:58:37.925275Z

## Updated at

2024-01-05T13:11:50.217144Z

## Published at

2023-12-28T07:30:31.051714Z

## Doi



## First published url

https://doi.org/10.1038/s41467-023-43659-4

## Date published

2023-11-25

## Recorded date published



## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Local Probe-Induced Structural Isomerization in a One-Dimensional Molecular
    Array
  title_type: original
  lang: en

## Description

- description: Synthesis of one-dimensional molecular arrays with tailored stereoisomers
    is challenging yet has great potential for application in molecular opto-, electronic-
    and magnetic-devices, where the local array structure plays a decisive role in
    the functional properties. Here, we demonstrate the construction and characterization
    of dehydroazulene isomer and diradical units in three-dimensional organometallic
    compounds on Ag(111) with a combination of low-temperature scanning tunneling
    microscopy and density functional theory calculations. Tip-induced voltage pulses
    firstly result in the formation of a diradical species via successive homolytic
    fission of two C-Br bonds in the naphthyl groups, which are subsequently transformed
    into chiral dehydroazulene moieties. The delicate balance of the reaction rates
    among the diradical and two stereoisomers, arising from an in-line configuration
    of tip and molecular unit, allows directional azulene-to-azulene and azulene-to-diradical
    local probe structural isomerization in a controlled manner. Furthermore, our
    theoretical calculations suggest that the diradical moiety hosts an open-shell
    singlet with antiferromagnetic coupling between the unpaired electrons, which
    can undergo an inelastic spin transition of 91 meV to the ferromagnetically coupled
    triplet state.
  description_type: abstract
  lang: en

## Creator

- name: Shigeki Kawai
  role: author
  orcid: https://orcid.org/0000-0003-2128-0120
  organization: National Institute for Materials Science
- name: Orlando J. Silveira
  role: author
  orcid: https://orcid.org/0000-0002-0403-9485
  organization: Aalto University
- name: Lauri Kurki
  role: author
  orcid: https://orcid.org/0000-0002-5027-7847
  organization: Aalto University
- name: Zhangyu Yuan
  role: author
  orcid: https://orcid.org/0000-0001-8028-2893
  organization: University of Tsukuba
- name: Tomohiko Nishiuchi
  role: author
  orcid: https://orcid.org/0000-0002-2113-0731
  organization: Osaka University
- name: Takuya Kodama
  role: author
  orcid: https://orcid.org/0000-0001-8275-2393
  organization: Osaka University
- name: Kewei Sun
  role: author
  orcid: https://orcid.org/0000-0002-1835-243X
  organization: National Institute for Materials Science
- name: Oscar Custance
  role: author
  orcid: https://orcid.org/0000-0001-7931-603X
  organization: National Institute for Materials Science
- name: Jose L. Lado
  role: author
  orcid: https://orcid.org/0000-0002-9916-1589
  organization: Aalto University
- name: Takashi Kubo
  role: author
  orcid: https://orcid.org/0000-0001-6809-7396
  organization: Osaka University
- name: Adam S. Foster
  role: author
  orcid: https://orcid.org/0000-0001-5371-5905
  organization: Aalto University

## Contact agent



## Publisher

organization: Springer Science and Business Media LLC

## Managing organization



## Keyword

- subject: local probe
  schema: not_defined
- subject: isomerization
  schema: not_defined
- subject: molecular array
  schema: not_defined

## Rights



## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Nature Communications
  issn: '20411723'
  volume: '14'
  article_number: '7741'

## Conference



## Related item



## Funding

- identifier: " JP22H00285"
  funder_name: JSPS
- identifier: " 346824"
  funder_name: " Academy of Finland"

## Instrument



## Instrument operator



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## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



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## Process for specimen treatment



## Computational method



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## Fileset

- id: c0ae2e4f-138e-4c0d-b4ef-946e8bebcf81
  filename: 20231125 Nat Com 2023_14_7741 s41467-023-43659-4.pdf
  content_type: application/pdf
  size: 2392203
  md5: e765765f857ae90d7d6712d2f54c07fb

## Thumbnail

fileset_id: c0ae2e4f-138e-4c0d-b4ef-946e8bebcf81
filename: 20231125 Nat Com 2023_14_7741 s41467-023-43659-4.pdf