| 生物活性有机磷化合物31P NMR化学位移的计算 |
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| 引用本文： | 陆模文,胡文祥.生物活性有机磷化合物31P NMR化学位移的计算[J].波谱学杂志,1995,12(3):283-292. |
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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： | 利用统一计算公式,计算了106个各类开环有机磷化合物的化学位移值,与文献值比较吻合.结果表明:统一计算公式比以往各种化学位移计算方程具有更普遍的意义.核外电子云球对称效应是影响31P NMR化学位移的主要因素之一.
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| 关 键 词： | 统一计算公式 31P NMR 化学位移计算 开环有机磷酸酯 |
| 收稿时间： | 1994-07-30 |
CALCULATION OF 31P NMR CHEMICAL SHIFTS FOR BIOACTIVE ORGANOPHOSPHORUS COMPOUNDS |
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| Lu Mowen,Hu Wenxiang.CALCULATION OF 31P NMR CHEMICAL SHIFTS FOR BIOACTIVE ORGANOPHOSPHORUS COMPOUNDS[J].Chinese Journal of Magnetic Resonance,1995,12(3):283-292. |
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| Authors: | Lu Mowen Hu Wenxiang |
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| Institution: | Institute of Pbarmacology and Toxicology, Academy of Military Medical Sciences, Beijing 100850 |
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| Abstract: | 31P NMR chemical shifts for all classes of 106 acyclic tetracoordinate organophosphorus esters have been calculated in this paper by an unified equation.The results showed that the unified equation has wider application than other formula of calculating chemical shifts.The spherical symmetry of the electron cloud around the nucleus is a primary factor affecting 31P NMR chemical shifts. |
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| Keywords: | Unified formula 31P NMR Calculation of chemical shifts Acyclic organophosphorus esters |
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