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The evaluation of the electronic charge distribution in metal complexes enables more precise interpretation of mechanism by which particular metal ions affect biochemical properties of ligands J. Inorg. Biochem. 99 (2005), 1407–1423, J. Mol. Struct. 919 (2009), 284–289. In this paper we investigated the influence of alkali metal cations (lithium, sodium, potassium, rubidium and cesium) on the electronic structure of p -coumaric acid ( p -CA). It allowed to observe the systematic changes in the spectra of investigated complexes depending on the position of the element in the periodic table. p -Coumaric acid is a derivative of cinnamic acid that occurs in several plant species. Li, Na, K, Rb and Cs p -coumarates were synthesized and the experimental and theoretical FT-IR, FT-Raman, 1 H and 13 C NMR spectra of p -coumaric acid and its salts were registered and analyzed. The structures, atomic charges, infrared and NMR spectra of p -coumaric acid and Li, Na, K salts were calculated by B3LYP/6-311++G ** method.
Świsłocka et al. (2012) studied this question.