Abstract
AbstractThe spectroscopically parametrized CNDO/S3 model is used to provide a quantitative description of the valence electron photoemission and ultraviolet absorption spectra of a series of substituted phenols and anisoles. The CNDO/S3 density of valence states was used to determine the molecular conformation of these molecules via analysis of gas‐phase photoemission spectra. These conformations, in turn, were used to quantitatively determine the ultraviolet absorption spectra.
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