| 小环化合物中饱和碳质子化学位移的计算 |
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| 引用本文： | 李临生.小环化合物中饱和碳质子化学位移的计算[J].高等学校化学学报,1993,14(2):217-219. |
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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, 成阳 712081 |
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| 摘 要： | 小环化合物由于其张力、构型、构象和各向异性效应等原因,环碳上质子化学位移缺乏规律性,难以预测,对此作者曾提出一种近似算法。本文根据303种小环化合物中饱和碳质子的化学位移实验数据,将适于计算这类质子化学位移的公式表述为:
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| 关 键 词： | 质子化学位移 环丙烷 环丁烷 环戊烷 环氧乙烷 |
| 收稿时间： | 1992-02-25 |
Calculation of Chemical Shifts of Protons on Saturated Carbons of Compounds of Small Rings |
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| LI Lin-Sheng.Calculation of Chemical Shifts of Protons on Saturated Carbons of Compounds of Small Rings[J].Chemical Research In Chinese Universities,1993,14(2):217-219. |
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| Authors: | LI Lin-Sheng |
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| Institution: | Institute of Applied Chemistry of Northwest College of Light Industry, Xianyang, 712081 |
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| Abstract: | A formula for estimating the chemical shifts of protons on saturated carbons of compoundsof small rings is presented; The average error of calculated shift is 0. 19 ppm for protons on cyclopropane, 0. 15 ppm for cyclobutane, 0. 16 ppm for cyclopentane. The chemical shifts depend on the substituents and the class of the rings. The base value A in the formula is a representation of ring strain. |
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| Keywords: | Proton chemical shift Cyclopropane Cyclobutane Cyclopentane Ethylene oxide |
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