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Abstract Molecular structures of quercitin and quercitin sulfonic acid have been determined by DFT quantum chemical calculations. FT-IR and FT-Raman spectra have been measured in the solid state and discussed… Click to show full abstract
Abstract Molecular structures of quercitin and quercitin sulfonic acid have been determined by DFT quantum chemical calculations. FT-IR and FT-Raman spectra have been measured in the solid state and discussed in terms of B3LYP/6-311G(2d,2p) approach. The role of the hydrogen bonds in stabilization of their structures has been analyzed. The IR spectra were measured in the temperature range 5–300 K and the observed effects were used in the discussion of the hydrogen bond behavior.
Keywords:
vibrational spectra;
molecular structure;
sulfonic acid;
quercetin;
structure vibrational
Journal Title: Vibrational Spectroscopy
Year Published: 2017
Link to full text (if available)
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Journal Title: Vibrational Spectroscopy
Year Published: 2017
Link to full text (if available)
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recommendations!