| 聂长明.喹啉生物碱~（13）C－NMR化学位移的研究Ⅱ取代基效应因子与化学位移定量关系[J].南华大学学报(自然科学版),1996,(1):.[.[J].Journal of University of South China(Science and Technology),1996,(1):.] |
| 喹啉生物碱~（13）C－NMR化学位移的研究Ⅱ取代基效应因子与化学位移定量关系 |
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| DOI： |
| 中文关键词: 喹啉，13C－NMR化学位移，取代基效应因子 |
| 英文关键词:quinoline,13C-NMR chemical shifts, substituent effect factor, |
| 基金项目: |
| 聂长明 |
| 中南工学院化学工程系 |
| 摘要点击次数: 741 |
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| 中文摘要: |
| 本文通过对喹啉生物碱１３Ｃ－ＮＭＲ化学位移与模型化合物的取代基参数的分析研究，提出了喹啉生物碱化学位移取代基效应因子，由此得到化学位移经验公式，预测化合物的化学位移．计算结果表明，在大多数情况下，计算值与文献值吻合良好． |
| 英文摘要: |
| The comparison with 13C-NMR standard spectra is an important method for identifying natural alkaloids. The simulation comparison can also identify unknown compounds without 13C-NMR standard spectra. In this paper, 13C-NMR chemical shifts of quinoline alkaloids are systematically studied with experimental substituent parameters of the model compound. The results indicate that the substituents parameters of the model compound correlate linearly with chemical shifts of the corresponding quinoline derivatives very well. The substituent effect factor and quantitative model are put forward theoretically. The chemical shifts of quinoline derivatives can be calculated and predicted using the model. The calculation results with the model show that most of the obtained values are coincident well with those from existing documents. |
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