WATER COMPLEXES OF AMINOPHENOL AND HYDROQUINONE
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Date
2003
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Journal ISSN
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Publisher
Ohio State University
Abstract
H-bonded water complexes of aminophenol and hydroquinone were studied in the supersonic jet by multiphoton ionization through the $S_{1}$ state. Ab initio calculations on both the systems were carried out in the $S_{0}$ and the $S_{1}$ states to determine the most stable structures of the complexes. Based on the spectroscopic signatures obtained from the excitation spectra and the calculations, structures for the observed complexes were proposed. A good correlation was shown to exist between the electronic red shift of the band origin of the complexes with respect to the corresponding monomers and the $pKa^{\ast}$ values (pKa in the excited state). A correlation was also drawn between the red shift in the band origin of the 1 : 1 water complexes of various phenols with the relative decrease in the negative charge density on the phenolic oxygen atom upon excitation to the $S_{1}$ state.
Description
Author Institution: Department of Chemical Sciences, Tata Institute of Fundamental Research