# Tuning NIR Absorption and Emission of Diphenyl‐Dihydrophenazine‐Based Merocyanines with Ultra Narrow Band Gap

https://mdr.nims.go.jp/datasets/884ca39e-c9c1-4c02-b1d4-2b86dd4bd76e

## File

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- [chem202501864-sup-0001-suppmat.pdf](https://mdr.nims.go.jp/filesets/ca2b3f0c-fc87-4e90-9b1a-98bd3f02771e/download) ([Detail](https://mdr.nims.go.jp/filesets/ca2b3f0c-fc87-4e90-9b1a-98bd3f02771e.md))

## Id

884ca39e-c9c1-4c02-b1d4-2b86dd4bd76e

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-07-28T04:22:07.810517Z

## Updated at

2025-07-29T03:30:33.223726Z

## Published at

2025-07-29T03:21:26.188654Z

## Doi



## First published url

https://doi.org/10.1002/chem.202501864

## Date published

2025-07-25

## Recorded date published

2025-7-25

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Tuning NIR Absorption and Emission of Diphenyl‐Dihydrophenazine‐Based Merocyanines
    with Ultra Narrow Band Gap
  title_type: original
  lang: en

## Description

- description: Five merocyanine derivatives with a 5,10-diphenyl-dihydrophenazine
    donor and various indanone and indandione based acceptors with one or two dicyanovinylene
    groups were prepared by Knoevenagel condensation for tuning absorption and fluorescence
    in near infrared region. Molecular conformation, bond length alternation and molecular
    packing in the solid-state were studied by X-ray diffraction of single crystals
    in combination with density functional theory calculations. By enhancing electron
    accepting ability, considerable decrease of LUMO energy by 1.01 eV and retained
    HOMO energy within 0.13 eV were estimated by cyclic and rotating disc electrode
    voltammetry, relating semi-quantitatively to DFT prediction. Optical properties
    in solutions with various polarity, neat amorphous films, and crystalline powder
    states were studied. The absorption maxima of the neat films evolved from 545
    nm to 931 nm. Ultranarrow optical band gap of DPPZ-IDD (1.09 eV) was found from
    the onset of thin film absorption and well agreed with electrochemical gap of
    0.93 eV. Detectable fluorescence in the NIR region was observed in the film and
    polycrystalline powder states.
  description_type: abstract
  lang: eng

## Creator

- name: Kateřina Teichmanová
  role: author
- name: Stanislav Luňák
  role: author
- name: Karel Pauk
  role: author
- name: Lukáš Střižík
  role: author
- name: Zdeňka Růžičková
  role: author
- name: Tomáš Mikysek
  role: author
- name: Klára Melánová
  role: author
- name: Aleš Imramovský
  role: author
- name: Kazuhiko Nagura
  role: author
  orcid: https://orcid.org/0000-0003-3910-1610
  organization: National Institute for Materials Science

## Contact agent



## Publisher

organization: Wiley

## Managing organization



## Keyword

- subject: chromophore
  schema: not_defined
- subject: dihydrophenazines
  schema: not_defined
- subject: merocyanine
  schema: not_defined
- subject: narrow bandgap
  schema: not_defined
- subject: NIR emission
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: CHEMISTRY-A EUROPEAN JOURNAL
  issn: '15213765'
  volume: '31'
  issue: '42'

## Conference



## Related item



## Funding

- funder_name: National Institute for Materials Science
- identifier: 24–10479S
  funder_name: Grantová Agentura České Republiky
- identifier: 24–10479S
  funder_name: Grantová Agentura České Republiky
- identifier: 24‐10479S
  funder_name: Grantová Agentura České Republiky
- identifier: e‐INFRA CZLM2018140
  funder_name: Grantová Agentura České Republiky
- funder_name: Ministerstvo Školství, Mládeže a Tělovýchovy
- identifier: 24–10479S
  funder_name: Grantová Agentura České Republiky
- identifier: 24–10479S
  funder_name: Grantová Agentura České Republiky
- identifier: 24‐10479S
  funder_name: Grantová Agentura České Republiky

## 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: 54223cd9-da3f-4e89-8435-a8ffb56c683e
  filename: Chemistry A European J - 2025 - Teichmanová - Tuning NIR Absorption and
    Emission of Diphenyl‐Dihydrophenazine‐Based.pdf
  content_type: application/pdf
  size: 4136828
  md5: deffa69d3fb84886adf08488413f6810
- id: ca2b3f0c-fc87-4e90-9b1a-98bd3f02771e
  filename: chem202501864-sup-0001-suppmat.pdf
  content_type: application/pdf
  size: 7451992
  md5: f42a40f3a3204ec98a7e13356b3efce0

## Thumbnail

fileset_id: 54223cd9-da3f-4e89-8435-a8ffb56c683e
filename: Chemistry A European J - 2025 - Teichmanová - Tuning NIR Absorption and
  Emission of Diphenyl‐Dihydrophenazine‐Based.pdf