Molecular structure and vibrational spectra of quercetin and quercetin-5’-sulfonic acid

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• 作者：J. Hanuza^a ; P. Godlewska^b ; ^{patrycja.godlewska@ue.wroc.pl} ; E. Kucharska^b ; M. Ptak^a ; M. Kopacz^c ; M. Mączka^a ; K. Hermanowicz^a ; L. Macalik^a
• 关键词：Quercetin and quercetin-5&rsquo ; -sulfonic acid ; FT-IR and FT-Raman studies ; DFT calculations ; Molecular structure ; Hydrogen bonds
• 刊名：Vibrational Spectroscopy
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：88
• 期：Complete
• 页码：94-105
• 全文大小：3092 K
• 卷排序：88

文摘

The IR and Raman spectra of studied compounds were recorded. The IR and Raman wavenumbers were calculated from the optimized geometry of molecule. IR, Raman and DFT methods confirm the existence of an intramolecular HBs. The vibrational characteristics of OH compounds were analyzed.