Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5375853 | Chemical Physics | 2008 | 4 Pages |
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 1.5Â THz, with significant peaks observed at 0.6, 0.95 and 1.2Â THz. A weak absorption peak is observed near 0.2-0.3Â 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.
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Authors
Yew Li Hor, Hee C. Lim, John F. Federici, Eric Moore, Joseph W. Bozzelli,