HIGH RESOLUTION ELECTRONIC SPECTRA OF 1,2-DIMETHOXYBENZENE AND THE 1,2-DIMETHOXYBENZENE/WATER $COMPLEX^{a}$

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1999

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Ohio State University

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High resolution $S_{1} \leftarrow S_{0}$ fluorescence excitation spectra of 1,2-dimethoxybenzene (DMB) and its water complex have been obtained and analyzed. The derived values of the rotational constants show that DMB itself has a planar heavy-atom structure with trans-disposed methoxy groups in both electronic states. No evidence for any other conformational isomers was found. The water complex origin appears $127 cm^{-1}$ to the blue of the bare molecule origin and is split into two spectra separated by $0.04 cm^{-1}$. Analyses of these data show that the water molecule is attached via two $O-H \cdots O$ hydrogen bonds to the methoxy groups, and undergoes a hindered internal rotation. Differences in the nature of this motion in the two electronic states will be discussed.

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$^{a}$ Work supported by NSF.
Author Institution: Department of Chemistry, University of Pittsburgh

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