| 碳谱化学位移计算式中基值的估算 |
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| 引用本文： | 李临生.碳谱化学位移计算式中基值的估算[J].波谱学杂志,1998,15(1):83-88. |
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| 作者姓名： | 李临生 |
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| 作者单位： | 西北轻工业学院应用化学研究所, 陕西咸阳 712081 |
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| 摘 要： | 提出一个计算碳谱化学位移计算式中基值的公式:B=-2.3+12.95(ΣP)1/3sin0.9θ1sin0.5θ2f/s2+Σασ并提出核周电子密度降低和核周电子云的变形是去屏蔽的基本因素的观点.
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| 关 键 词： | 13C NMR 化学位移 核周电子密度 核周电子云变形 屏蔽 去屏蔽 |
| 收稿时间： | 1997-05-29 |
COMPUTATION OF BASIC VALUES IN CALCULATION FORMULAS OF 13 C NMR CHEMICAL SHIFT |
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| Li Linsheng.COMPUTATION OF BASIC VALUES IN CALCULATION FORMULAS OF 13 C NMR CHEMICAL SHIFT[J].Chinese Journal of Magnetic Resonance,1998,15(1):83-88. |
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| Authors: | Li Linsheng |
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| Institution: | Institute of Applied Chemistry, Northwest Institute of Light Industry, Xianyang, 712081 |
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| Abstract: | A formula is proposed for calculating the basic values of 13C NMR Chemical Shift:B=-2.3 +12.95(ΣP) 1/3sin0.9θ1sin0.5θ2f/s2+ΣασCalculated chemical shifts of parent compounds accorded with the experimental data.The principle factors to influence chemical shift are the electronic cloud density around the nuclei and its deformation. |
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| Keywords: | C NMR Chemical shift Electronic cloud density around the nuclei Deformation of electronic cloud Deshielding Shielding |
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