| 羰基13C NMR化学位移的计算 |
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| 引用本文： | 陆模文,胡文祥.羰基13C NMR化学位移的计算[J].波谱学杂志,1995,12(6):649-656. |
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| 作者姓名： | 陆模文 胡文祥 |
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| 作者单位： | 中国军事医学科学院六所, 北京 100850 |
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| 摘 要： | 根据核外电子云球对称效应原理,建立化学位移统一计算公式,计算了醛、酮、酰氯、羧酸和酯中羰基的13C NMR化学位移,在一定程度上说明了影响13C NMR化学位移的主要结构因素,并对一些反常现象作出了直观合理的解释。
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| 关 键 词： | 13C NMR 羰基 统一公式 化学位移计算 球对称原理 |
| 收稿时间： | 1994-10-14 |
CALCULATION ON 13C NMR CHEMICAL SHIFTS OF CARBONYL GROUPS |
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| Lu Mowen,Hu WenXiang.CALCULATION ON 13C NMR CHEMICAL SHIFTS OF CARBONYL GROUPS[J].Chinese Journal of Magnetic Resonance,1995,12(6):649-656. |
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| Authors: | Lu Mowen Hu WenXiang |
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| Institution: | Institute of Pharmacology and Toxicology, Academy of Military Medical Sciences, Beijing 100850 |
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| Abstract: | Chemical shifts of carbonyl groups in aldehydes,ketones,carbonyl chlorides,carboxylic acids and their esters were calculated with the equation established by our new model.The structural effects of 13C NMR were studied,and some abnonnal conditions of carbonyl groups in aldehydes and carboxylic acids were also discussed. |
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| Keywords: | 13C NMR Carbonyl groups Unified formula Calculation of chemical shifts Principle of spherical symmetry of clectron cloud |
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