| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9577773 | Chemical Physics Letters | 2005 | 5 Pages |
Abstract
FT-IR spectra of o-fluoroanisole were measured in a low-temperature Ar matrix with and without UV irradiation. The observed bands, without irradiation, were assigned to the trans conformer with the aid of the quantum chemical calculations at the B3LYP/cc-pVTZ level. By comparing the IR spectrum, after irradiation, with the calculated spectra, the formation of a non-planar conformer was established. The non-planar conformer gradually decayed by a unimolecular process under dark conditions at 16Â K, while the trans conformer increased. The back-reaction rate was estimated, and the reaction dynamics between the trans and non-planar conformers was discussed.
Related Topics
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Physical and Theoretical Chemistry
Authors
Tasuku Isozaki, Kosaku Sakeda, Tadashi Suzuki, Teijiro Ichimura, Kazuhide Tsuji, Kazuhiko Shibuya,