Open AccessSpectroscopic (FT-IR, FT-Raman,1H and13C NMR) and theoretical studies ofp-coumaric acid and alkali metalp-coumarates
Author(s) -
Renata Świsłocka,
Małgorzata Kowczyk-Sadowy,
Monika Kalinowska,
W. Lewandowski
Publication year - 2012
Publication title -
spectroscopy an international journal
Language(s) - English
Resource type - Journals
eISSN - 1875-922X
pISSN - 0712-4813
DOI - 10.1155/2012/546146
Subject(s) - chemistry , alkali metal , raman spectroscopy , lithium (medication) , potassium , nmr spectra database , rubidium , metal , p coumaric acid , inorganic chemistry , crystallography , spectral line , organic chemistry , physics , optics , medicine , food science , astronomy , ferulic acid , endocrinology
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.
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