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￣（３１）ＰＮＭＲ化学位移的主要因素之一．
^(31)P NMR chemical shifts for all classes of 106 acyclic tetracoordinateorgano phosphorus esters have been calculated in this paper by an unified equation．The results showed that the unified equation has wider application than other formulaof calculating chemical shifts．The spherical symmetry of the electron cloud around thenucleus is a primary factor affecting ^(31)P NMR chemical shifts．
出处
《波谱学杂志》
CAS
CSCD
1995年第3期283-292,共10页
Chinese Journal of Magnetic Resonance
关键词
计算公式
化学位移
有机磷酸酯
NMR
Unified formula，^(31)P NMR， Calculation of chemical shifts，Acyclicorganophosphorus esters
