Terahertz study of trichloroanisole by time-domain spectroscopy

Yew Li Hor, Hee C. Lim, John F. Federici, Eric Moore, Joseph W. Bozzelli

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

The THz transmission spectra of three trichloroanisole (TCA) compounds (2,3,4-TCA, 2,4,6-TCA and 2,5,6-TCA) are measured using terahertz time-domain spectroscopy (THz-TDS). The spectrum of 2,4,6-TCA in the solid phase displays several discrete absorption peaks over frequency range from 0.1 to 1.5 THz, with significant peaks observed at 0.6, 0.95 and 1.2 THz. A weak absorption peak is observed near 0.2-0.3 THz. Computational chemistry using the B3LYP density functional method is used to study structure and internal rotations in 2,4,6-TCA, where results strongly suggest that frequencies of the CH3O-carbon(benzene) internal rotor of the methoxy group correspond to the observed spectra.

Original languageEnglish (US)
Pages (from-to)185-188
Number of pages4
JournalChemical Physics
Volume353
Issue number1-3
DOIs
StatePublished - Nov 3 2008

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Keywords

  • 2,3,4-Trichloroanisole
  • 2,4,6-Trichloroanisole
  • 2,5,6-Trichloroanisole
  • Cork taint
  • Internal rotor
  • Spectroscopy
  • Terahertz
  • Trichloroanisole

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