论文标题
α-四氢呋喃酸$^{1} $ H NMR光谱的总线形分析
Total lineshape analysis of α-tetrahydrofuroic acid $^{1}$H NMR spectra
论文作者
论文摘要
通过Anatolia Total LinesHape拟合分析了L-碳酸氧类似,α-四氢呋喃酸的1H NMR光谱,具有强明显的非阶效应。实现了理论和实验光谱的密切一致性(带有R因子值波纹5%),并获得了准确的耦合常数值。羧基取代基破坏了四氢呋喃的对称性,并允许明确确定含氧饱和的五元环系统中Geminal耦合常数的典型值。
The 1H NMR spectra of L-proline oxygen analogous, alpha-tetrahydrofuroic acid, 7-spins nonsymmetric spin system with strongly pronounced non-first order effects were analyzed by ANATOLIA total lineshape fitting. A close agreement of theoretical and experimental spectra (with R-Factor values bellow 5%) was achieved and accurate values of coupling constant were obtained. The carboxylic substituent disrupts tetrahydrofuran symmetry and allows to unambiguously determine the typical values of geminal coupling constants in oxygen-containing saturated five-membered ring systems.