SPECTRA AND STRUCTURE OF PHENOL IN GROUND AND FIRST EXCITED STATE
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Date
1966
Authors
Brand, J. C. D.
Bist, H. D.
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Journal ISSN
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Publisher
Ohio State University
Abstract
On the basis of infrared and ultraviolet absorption studies of phenol vapor and some of its isotopes, it has been shown that the vibronic states of phenol, a non-rigid molecule, can be classified according to the species of $C_{te}$. All 13 totally symmetric vibrations $(a_{1})$ have been identified in the excited state $(^{\ast}B_{2})$ and improved values have been obtained for ground state $(^{\ast}A_{1})$ fundamentals occurring below $1300 cm^{-1}$; the excited state ring modes have also been correlated with the modes of benzene. The $b_{2}$ vibrations appear in the electronic spectrum as a ``forbidden'' system with z-polarization. Low-frequency out-of-plane vibrations are responsible for strong sequences. The assignment of torsional mode in the $^{\ast}B_{2}$ state, the relative intensities of totally-symmetric fundamentals and their progressions, the double-quantum changes of non-totally symmetric vibrations and the band envelopes associated with the $a_{1}$ and single-quantum $b_{2}$ vibrational changes in the electronic spectrum, all provide significant information about the structure of phenol in its first excited state.
Description
Author Institution: Department of Chemistry, Vanderbilt University