Terahertz study of trichloroanisole by time-domain spectroscopy

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

doi:10.1016/j.chemphys.2008.08.011

Terahertz study of trichloroanisole by time-domain spectroscopy

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

Physics

Research output: Contribution to journal › Article › peer-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 language	English (US)
Pages (from-to)	185-188
Number of pages	4
Journal	Chemical Physics
Volume	353
Issue number	1-3
DOIs	https://doi.org/10.1016/j.chemphys.2008.08.011
State	Published - Nov 3 2008

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
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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10.1016/j.chemphys.2008.08.011

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title = "Terahertz study of trichloroanisole by time-domain spectroscopy",

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.",

keywords = "2,3,4-Trichloroanisole, 2,4,6-Trichloroanisole, 2,5,6-Trichloroanisole, Cork taint, Internal rotor, Spectroscopy, Terahertz, Trichloroanisole",

author = "Hor, {Yew Li} and Lim, {Hee C.} and Federici, {John F.} and Eric Moore and Bozzelli, {Joseph W.}",

year = "2008",

month = nov,

day = "3",

doi = "10.1016/j.chemphys.2008.08.011",

language = "English (US)",

volume = "353",

pages = "185--188",

journal = "Chemical Physics",

issn = "0301-0104",

publisher = "Elsevier B.V.",

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TY - JOUR

T1 - Terahertz study of trichloroanisole by time-domain spectroscopy

AU - Hor, Yew Li

AU - Lim, Hee C.

AU - Federici, John F.

AU - Moore, Eric

AU - Bozzelli, Joseph W.

PY - 2008/11/3

Y1 - 2008/11/3

N2 - 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.

AB - 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.

KW - 2,3,4-Trichloroanisole

KW - 2,4,6-Trichloroanisole

KW - 2,5,6-Trichloroanisole

KW - Cork taint

KW - Internal rotor

KW - Spectroscopy

KW - Terahertz

KW - Trichloroanisole

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U2 - 10.1016/j.chemphys.2008.08.011

DO - 10.1016/j.chemphys.2008.08.011

M3 - Article

AN - SCOPUS:54149115076

SN - 0301-0104

VL - 353

SP - 185

EP - 188

JO - Chemical Physics

JF - Chemical Physics

IS - 1-3

ER -

Terahertz study of trichloroanisole by time-domain spectroscopy

Abstract

All Science Journal Classification (ASJC) codes

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