Abstract
Quantum chemical calculations of vibrational spectra of para-ethylbenzenesulfonic acid have been conducted by means of a non-empirical SCF MO LCAO method with the use of the 6-31G(d) basis set. Calculated IR and Raman frequencies are assigned to vibrations of specific atomic groups. It is shown that para-ethylbenzenesulfonic acid can serve as a reasonable quantum chemical model in calculations of vibrational spectra for polystyrene sulfonic resins of various degrees of hydration.
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