Analysis of the Terahertz Absorption Spectrum of Melamine

Yeun Hee Hwang, Yo Han Noh, Dongkyun Seo, Hak Min Yeo, Seongheun Kim, Jaehun Park, Hyang Sook Chun, Kyungwon Kwak

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

In this paper, with terahertz (THz) time-domain spectroscopy, we measure the characteristic absorption peaks of melamine and analyze their vibrational modes with the help of solid-state density functional theory (DFT) calculations. The observed strong absorption peaks at 2, 2.27, and 2.61 THz are well reproduced but show red shifts compared to the theoretical results. Detailed normal mode analyses are carried out, which reveals that those THz peaks are generated from intermolecular vibrations. Temperature-dependent THz measurements suggest that this red shift mainly comes from the temperature effect. Thus, three peaks are assigned to the calculated intermolecular vibrational motions. This result indicates that THz spectroscopy can be a useful tool to detect the details of intermolecular structures.

Original languageEnglish
Pages (from-to)891-895
Number of pages5
JournalBulletin of the Korean Chemical Society
Volume36
Issue number3
DOIs
Publication statusPublished - 2015 Mar 1
Externally publishedYes

Fingerprint

Terahertz spectroscopy
Thermal effects
Density functional theory
Absorption spectra
Spectroscopy
Temperature
melamine

Keywords

  • Melamine
  • Solid-state density functional theory calculation
  • Terahertz spectroscopy

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Analysis of the Terahertz Absorption Spectrum of Melamine. / Hwang, Yeun Hee; Noh, Yo Han; Seo, Dongkyun; Yeo, Hak Min; Kim, Seongheun; Park, Jaehun; Chun, Hyang Sook; Kwak, Kyungwon.

In: Bulletin of the Korean Chemical Society, Vol. 36, No. 3, 01.03.2015, p. 891-895.

Research output: Contribution to journalArticle

Hwang, YH, Noh, YH, Seo, D, Yeo, HM, Kim, S, Park, J, Chun, HS & Kwak, K 2015, 'Analysis of the Terahertz Absorption Spectrum of Melamine', Bulletin of the Korean Chemical Society, vol. 36, no. 3, pp. 891-895. https://doi.org/10.1002/bkcs.10166
Hwang, Yeun Hee ; Noh, Yo Han ; Seo, Dongkyun ; Yeo, Hak Min ; Kim, Seongheun ; Park, Jaehun ; Chun, Hyang Sook ; Kwak, Kyungwon. / Analysis of the Terahertz Absorption Spectrum of Melamine. In: Bulletin of the Korean Chemical Society. 2015 ; Vol. 36, No. 3. pp. 891-895.
@article{ec9a257ab8f44d8dbcf62b614048e1c3,
title = "Analysis of the Terahertz Absorption Spectrum of Melamine",
abstract = "In this paper, with terahertz (THz) time-domain spectroscopy, we measure the characteristic absorption peaks of melamine and analyze their vibrational modes with the help of solid-state density functional theory (DFT) calculations. The observed strong absorption peaks at 2, 2.27, and 2.61 THz are well reproduced but show red shifts compared to the theoretical results. Detailed normal mode analyses are carried out, which reveals that those THz peaks are generated from intermolecular vibrations. Temperature-dependent THz measurements suggest that this red shift mainly comes from the temperature effect. Thus, three peaks are assigned to the calculated intermolecular vibrational motions. This result indicates that THz spectroscopy can be a useful tool to detect the details of intermolecular structures.",
keywords = "Melamine, Solid-state density functional theory calculation, Terahertz spectroscopy",
author = "Hwang, {Yeun Hee} and Noh, {Yo Han} and Dongkyun Seo and Yeo, {Hak Min} and Seongheun Kim and Jaehun Park and Chun, {Hyang Sook} and Kyungwon Kwak",
year = "2015",
month = "3",
day = "1",
doi = "10.1002/bkcs.10166",
language = "English",
volume = "36",
pages = "891--895",
journal = "Bulletin of the Korean Chemical Society",
issn = "0253-2964",
publisher = "Wiley-Blackwell",
number = "3",

}

TY - JOUR

T1 - Analysis of the Terahertz Absorption Spectrum of Melamine

AU - Hwang, Yeun Hee

AU - Noh, Yo Han

AU - Seo, Dongkyun

AU - Yeo, Hak Min

AU - Kim, Seongheun

AU - Park, Jaehun

AU - Chun, Hyang Sook

AU - Kwak, Kyungwon

PY - 2015/3/1

Y1 - 2015/3/1

N2 - In this paper, with terahertz (THz) time-domain spectroscopy, we measure the characteristic absorption peaks of melamine and analyze their vibrational modes with the help of solid-state density functional theory (DFT) calculations. The observed strong absorption peaks at 2, 2.27, and 2.61 THz are well reproduced but show red shifts compared to the theoretical results. Detailed normal mode analyses are carried out, which reveals that those THz peaks are generated from intermolecular vibrations. Temperature-dependent THz measurements suggest that this red shift mainly comes from the temperature effect. Thus, three peaks are assigned to the calculated intermolecular vibrational motions. This result indicates that THz spectroscopy can be a useful tool to detect the details of intermolecular structures.

AB - In this paper, with terahertz (THz) time-domain spectroscopy, we measure the characteristic absorption peaks of melamine and analyze their vibrational modes with the help of solid-state density functional theory (DFT) calculations. The observed strong absorption peaks at 2, 2.27, and 2.61 THz are well reproduced but show red shifts compared to the theoretical results. Detailed normal mode analyses are carried out, which reveals that those THz peaks are generated from intermolecular vibrations. Temperature-dependent THz measurements suggest that this red shift mainly comes from the temperature effect. Thus, three peaks are assigned to the calculated intermolecular vibrational motions. This result indicates that THz spectroscopy can be a useful tool to detect the details of intermolecular structures.

KW - Melamine

KW - Solid-state density functional theory calculation

KW - Terahertz spectroscopy

UR - http://www.scopus.com/inward/record.url?scp=84936879608&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84936879608&partnerID=8YFLogxK

U2 - 10.1002/bkcs.10166

DO - 10.1002/bkcs.10166

M3 - Article

VL - 36

SP - 891

EP - 895

JO - Bulletin of the Korean Chemical Society

JF - Bulletin of the Korean Chemical Society

SN - 0253-2964

IS - 3

ER -