# J-dimers of phthalocyanine analogues: structural characterization and their use for determination of association constants between ligands and the central cation

https://mdr.nims.go.jp/datasets/ac6df95f-d72a-48b6-b845-227d01a0768b

## File

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## Id

ac6df95f-d72a-48b6-b845-227d01a0768b

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-02-12T19:29:03.097448Z

## Updated at

2025-02-13T03:30:44.439887Z

## Published at

2025-02-13T03:30:44.570199Z

## Doi



## First published url

https://doi.org/10.1039/d4qi02834a

## Date published

2024-12-31

## Recorded date published

2025-2-11

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: 'J-dimers of phthalocyanine analogues: structural characterization and their
    use for determination of association constants between ligands and the central
    cation'
  title_type: original
  lang: en

## Description

- description: The characterization of the stability of self-assembled supramolecular
    systems is critical for numerous applications that rely on non-covalent interactions
    between the components. However, in phthalocyanines (Pcs), the coordination of
    ligands to the central metal is typically not accompanied by significant spectral
    changes, complicating the determination of association constants (K1). In this
    study, we developed a reliable and widely applicable method based on fluorescence
    and absorption spectroscopy that allows straightforward determination of K1 for
    a broad range of ligands, from heterocyclic to purely aliphatic, with weak (K1~10^2
    M⁻¹) to strong (K1~10^7 M⁻¹) binding affinities. The method benefits from the
    full characterization of unique J-dimers of Pcs, which are formed via coordination
    between the peripheral substituent of one molecule and the central metal of another
    Pc in a series of metal octa(dialkylamino)azaphthalocyanines. These J-dimers exhibit
    significantly red-shifted absorption bands (up to ~710 nm), and retained red fluorescence
    with significant Stokes shifts (~35-40 nm), making them ideal for spectroscopic
    analysis. The developed method allowed for the direct determination of dimerization
    constants (KD) by monitoring temperature-induced J-dimer disassembly. Determined
    KD values ranged from 10^8 to 10^15 M⁻¹, with the bulkiness of the coordinating
    substituents being the primary factor affecting dimerization strength. The insights
    gained could be instrumental in the rational design of self-coordinating supramolecular
    systems that are important in, for example, energy and electron transfer processes.
  description_type: abstract
  lang: und

## Creator

- name: Jiri Demuth
  role: author
  orcid: https://orcid.org/0000-0001-6847-768X
- name: Stefan Bednarik
  role: author
- name: Radek Machan
  role: author
- name: Ivan Mocak
  role: author
- name: Tibor Malinsky
  role: author
- name: Mona Abo El Dahabova
  role: author
- name: Jakub Holcak
  role: author
- name: Miroslav Miletin
  role: author
  orcid: https://orcid.org/0000-0001-6924-5960
- name: Jan Labuta
  role: author
  orcid: https://orcid.org/0000-0002-8329-0634
- name: Veronika Novakova
  role: author
  orcid: https://orcid.org/0000-0002-2183-1220
- name: Petr Zimcik
  role: author
  orcid: https://orcid.org/0000-0002-3533-3601

## Contact agent



## Publisher

organization: Royal Society of Chemistry (RSC)

## Managing organization



## Keyword

- subject: phthalocyanine
  schema: not_defined
- subject: J-dimers
  schema: not_defined
- subject: supramolecular system
  schema: not_defined
- subject: " association constant"
  schema: not_defined
- subject: ligand
  schema: not_defined

## Rights

- identifier: cc-by-nc-3.0

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: Inorganic Chemistry Frontiers
  issn: '20521553'
  volume: '12'
  issue: '4'
  start_page: 1590
  end_page: 1608

## Conference



## Related item



## Funding

- identifier: 23-06177S
  funder_name: Grantová Agentura České Republiky
- identifier: CZ.02.01.01/00/22_008/0004607
  funder_name: Ministerstvo Školství, Mládeže a Tělovýchovy
- identifier: LL2318
  funder_name: Ministry of Education, Youth and Sports, Czech Republic
- identifier: SVV 260 666
  funder_name: Charles University, Czech Republic

## 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

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- id: e91ba022-f5e7-45ea-ab07-c68cc8183b1c
  filename: d4qi02834a1.pdf
  content_type: application/pdf
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## Thumbnail

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filename: d4qi02834a.pdf