Terahertz study of trichloroanisole by time-domain spectroscopy

Document Type

Article

Publication Date

11-3-2008

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. © 2008 Elsevier B.V. All rights reserved.

Identifier

54149115076 (Scopus)

Publication Title

Chemical Physics

External Full Text Location

https://doi.org/10.1016/j.chemphys.2008.08.011

ISSN

03010104

First Page

185

Last Page

188

Issue

1-3

Volume

353

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