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通过对 6 2个羰基化合物中羰基 13 C NMR谱化学位移与其部分结构参数关系研究 ,发现羰基13 C NMR谱化学位移与烷基极化效应指数 (PEI)、部分电荷 (qx)的关系可用下式表示 :δ =a +b∑PEI+c∑qx该式能比现有文献方法较好地表达羰基13 C NMR谱化学位移值随结构变化的规律 ,从而对解析13 CNMR谱及预测羰基13 C NMR谱的化学位移值提供了理论依据
The relationship between chemical shift of 13 C NMR spectra of 6 2 carbonyl compounds and some of its structural parameters was studied. It was found that the relationship between chemical shifts of carbonyl 13 C NMR spectra and alkyl polarization index (PEI) and partial charge (qx) The formula: δ = a + bΣPEI + cΣqx This formula than the literature method better expression of carbonyl 13C NMR chemical shifts with the structure of the law, thus 13CNMR spectral analysis and prediction of carbonyl 13 The chemical shift values of C NMR spectra provide the theoretical basis