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Optimized geometrical structures of ortho substituted benzoates were calculated by B3LYP/6-311++G ** method. The calculated parameters are compared with experimental characteristics of these molecules. Data of chemical shifts in 1 H and 13 C NMR as well as wavenumbers and intensities in IR and Raman spectra of studied benzoate derivatives were analyzed in comparison with benzoic...
The influence of lithium, sodium, potassium, rubidium and cesium on the electronic system of 2-aminonicotinic acid (2-ANA) was studied by the methods of molecular spectroscopy. The vibrational (FT-IR, FT-Raman) and NMR ( 1 H and 13 C) spectra of 2-aminonicotinic acid and its alkali metal salts were recorded. Characteristic shifts and changes in intensities of bands along the metal...
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