# Effect of para-substituents on NC bonding of aryl isocyanide molecules adsorbed on metal surfaces studied by sum frequency generation (SFG) spectroscopy

https://mdr.nims.go.jp/datasets/0be9e25c-2eb6-4484-8b49-388b18065748

## File

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## Id

0be9e25c-2eb6-4484-8b49-388b18065748

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-11-25T02:10:57.124229Z

## Updated at

2024-11-28T07:30:54.133341Z

## Published at

2024-11-28T07:30:54.556586Z

## Doi

https://doi.org/10.48505/nims.5040

## First published url

https://doi.org/10.1063/5.0236548

## Date published

2024-11-28

## Recorded date published

2024-11-28

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: Effect of para-substituents on NC bonding of aryl isocyanide molecules adsorbed
    on metal surfaces studied by sum frequency generation (SFG) spectroscopy
  title_type: original
  lang: en

## Description

- description: The effect of para substituents on the NC bond of aryl isocyanide molecules,
    adsorbed on Au, Ag, Pt and Pd surfaces were examined by vibrational sum frequency
    generation (VSFG) spectroscopy. The frequency of NC stretching vibration, υNC,
    depended on the electronic property of the substituents. When the substituents
    were more electron-withdrawing and more electron-donating, υNC shifted to lower
    and higher frequencies, respectively. However, υNC shifted to lower frequency
    again when the substituents were too electron-donating. The strong dependence
    of υNC on metal substrates was also observed, reflecting the difference in metal
    d-band energies, which leads to the difference in the contributions of  σ-donation
    and π back donation the NC-metal coupling.
  description_type: abstract
  lang: und

## Creator

- name: Mikio Ito
  role: author
  orcid: https://orcid.org/0009-0004-8133-333X
- name: Hidenori Noguchi
  role: author
  orcid: https://orcid.org/0000-0001-9643-1689
- name: Kohei Uosaki
  role: author
  orcid: https://orcid.org/0000-0001-8886-3270

## Contact agent



## Publisher

organization: AIP Publishing

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## Keyword

- subject: aryl isocyanide molecules
  schema: not_defined
- subject: vibrational sum frequency generation
  schema: not_defined
- subject: Hammett constant
  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 Mikio Ito, Hidenori Noguchi, Kohei Uosaki; Effect of para-substituents on NC
    bonding of aryl isocyanide molecules adsorbed on metal surfaces studied by sum
    frequency generation (SFG) spectroscopy. J. Chem. Phys. 21 November 2024; 161
    (20): 204703 and may be found at (https://doi.org/10.1063/5.0236548.'
  identifier: http://rightsstatements.org/vocab/InC/1.0/

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## Journal

- title: The Journal of Chemical Physics
  issn: '00219606'
  volume: '161'
  issue: '20'

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## Fileset

- id: a535cb02-70b0-4323-b482-6e3fcb34ae6f
  filename: Reviced_Shen.docx
  content_type: application/vnd.openxmlformats-officedocument.wordprocessingml.document
  size: 47166038
  md5: e8790a7b1fcbd0245a8d2aa156175fce

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filename: Reviced_Shen.docx