Manifestations of intramolecular H-bonds of CH… O and OH… C type in quercetin molecule: Analysis of IR spectra by mean of density functional theory

Dmytro M Hovorun,Ivan S Voiteshenko,Leonid Gorb

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy（2023）

引用 0|浏览5

暂无评分

摘要

•Different behavior of H-bonds of CH… O and OH… C type in Quercetin – blue shift for ф O3H…C2′/C6′ type and red shift for C2′H/C6′H…O3 one.•No stable trends in the correlation between hydrogen bond energy of C6′H…O3H and O3H…C2′ patterns and calculated spectral parameters are found.•A perfect correlation between the energy of H-bonds and geometric and physicochemical parameters of the quercetin molecule is found.

查看译文

关键词

Quercetin,Intramolecular H-bond,Spectral-vibrational H-bonding criteria,Density functional theory

AI 理解论文

溯源树

样例

生成溯源树，研究论文发展脉络

Chat Paper

正在生成论文摘要