# Hydrogen-bonded supramolecular assembly of didodecylmelamine and thymine at the air/water interface studied by heterodyne-detected vibrational sum frequency generation

https://mdr.nims.go.jp/datasets/df840a37-b1e2-491d-a7f0-3b0b69ac4772

## File

- [JCP26-AR-TAHARA2026-02621R.pdf](https://mdr.nims.go.jp/filesets/522fbc6c-539d-4cae-a87d-aad8322baa94/download) ([Detail](https://mdr.nims.go.jp/filesets/522fbc6c-539d-4cae-a87d-aad8322baa94.md))

## Id

df840a37-b1e2-491d-a7f0-3b0b69ac4772

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2026-09-28T23:00:02.793522Z

## Updated at

2026-09-28T23:53:31.465288Z

## Published at

2026-09-29T01:40:50.440174Z

## Doi

https://doi.org/10.48505/nims.8630

## First published url

https://doi.org/10.1063/5.0350367

## Date published

2026-09-28

## Recorded date published

2026-9-28

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: Hydrogen-bonded supramolecular assembly of didodecylmelamine and thymine
    at the air/water interface studied by heterodyne-detected vibrational sum frequency
    generation
  title_type: original
  lang: en

## Description

- description: Langmuir monolayers of didodecylmelamine (2C12mela) on thymine aqueous
    solutions were studied by in situ heterodyne-detected vibrational sum frequency
    generation (HD-VSFG) spectroscopy. The HD-VSFG spectrum of the monolayer on a
    10 mM thymine aqueous solution exhibited a positive band at 1665 cm−1, a negative
    band at 1710 cm−1, and an extremely broad, positive band at the low wavenumber
    side (2600-2850 cm−1) of the CH, NH, and OH stretching region. The three bands
    were assigned to the 4-carbonyl, 2-carbonyl, and strongly hydrogen-bonded NH stretching
    modes of thymine. The signs of the bands indicate that thymine molecules were
    oriented with the oxygen atoms of the 4-carbonyl pointing downward, the oxygen
    atoms of the 2-carbonyl pointing upward, and the hydrogen atoms of NH groups of
    thymine pointing upward along the interface normal, respectively. The spectral
    data, supported by finite-cluster spectral simulations, favor a polymer-like supramolecular
    structure over trimeric models.
  description_type: abstract
  lang: und

## Creator

- name: Shuhei Yamada
  role: author
- name: Katsuhiko Ariga
  role: author
  orcid: https://orcid.org/0000-0002-2445-2955
- name: Taka-aki Ishibashi
  role: author
  orcid: https://orcid.org/0000-0003-0000-547X

## Contact agent



## Publisher

organization: AIP Publishing

## Managing organization



## Keyword

- subject: Hydrogen bond
  schema: not_defined
- subject: supramolecular assembly
  schema: not_defined
- subject: air-water interface
  schema: not_defined
- subject: heterodyne-detected vibrational sum frequency generation
  schema: not_defined
- subject: monolayer
  schema: not_defined
- subject: molecular recognition
  schema: not_defined

## Rights

- description: 'This article may be downloaded for personal use only. Any other use
    requires prior permission of the author and AIP Publishing. This article appeared
    in Shuhei Yamada, Katsuhiko Ariga, Taka-aki Ishibashi; Hydrogen-bonded supramolecular
    assembly of didodecylmelamine and thymine at the air/water interface studied by
    heterodyne-detected vibrational sum frequency generation. J. Chem. Phys. 28 September
    2026; 165 (12): 124907 and may be found at https://doi.org/10.1063/5.0350367.'
  identifier: http://rightsstatements.org/vocab/InC/1.0/

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: The Journal of Chemical Physics
  issn: '00219606'
  volume: '165'
  issue: '12'
  article_number: '124907'

## Conference



## Related item



## Funding

- identifier: JP19K05362
  funder_name: Japan Society for the Promotion of Science
- identifier: JP22K05016
  funder_name: Japan Society for the Promotion of Science
- identifier: JP26K22762
  funder_name: Japan Society for the Promotion of Science

## Instrument



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## Measurement method



## Specimen



## Chemical composition



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## Computational method



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## Fileset

- id: 522fbc6c-539d-4cae-a87d-aad8322baa94
  filename: JCP26-AR-TAHARA2026-02621R.pdf
  content_type: application/pdf
  size: 1236212
  md5: 19f2389c559363452d323a3c61542cef

## Thumbnail

fileset_id: 522fbc6c-539d-4cae-a87d-aad8322baa94
filename: JCP26-AR-TAHARA2026-02621R.pdf