Standardless molecular spectral analysis of cation-exchangers
Keywords:
structural - group analysis, supramolecular systems, carboxylic cation-exchanger, sulfocation-exchanger, Gaussian 03, IR spectrum, NMR spectrum.Abstract
The way definition of structure of supramolecular systems is developed on the basis of quantumchemical
and molecular-dynamic simulation in aggregate with the analysis them IR and NMR spectra. The
approbation of the method is carried out on an example research of structure of sulfocation-exchangers in the
forms cations of alkaline metals and carboxylic cation-exchanger in the Na-form. In the result of the analysis is
established dissociation of the ion pair in the given systems









