高等学校化学学报

高等学校化学学报 ›› 1997, Vol. 18 ›› Issue (12): 2030.

• 论文 • 上一篇    下一篇

硫代磷酸酯类化合物的31P化学位移加和规则

张友杰, 杨凤岭, 刘小鹏, 刘钊杰   

  1. 华中师范大学分析测试中心, 武汉 430079
  • 收稿日期:1996-09-06 出版日期:1997-12-24 发布日期:1997-12-24
  • 通讯作者: 刘小鹏
  • 作者简介:张友杰, 男, 58岁, 硕士, 教授.
  • 基金资助:

    湖北省自然科学基金

Additivity Rule of 31P Chemical Shifts for Thiophosphates

ZHANG You-Jie, YANG Feng-Ling, LIU Xiao-Peng, LIU Zhai-Jie   

  1. Center fir Analysis and Testing, Institute if Organic Synthesis,Central China Normal University, Wuhan 430079
  • Received:1996-09-06 Online:1997-12-24 Published:1997-12-24

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摘要： 对近80种自行合成的硫逐及硫赶磷酸酯类化合物进行了31PNMR谱的测定,提出了一个经验方程、一套化学位移参数和立体电子效应参数,比较准确地计算了它们的31P化学位移．其计算值与测定值的平均误差为±0．096,标准偏差为±0．13．同时,就取代基的电负性、键角和立体电子效应等因素对31P化学位移的影响作了理论上的探讨．

关键词: 硫代磷酸酯, 31PNMR, 加和规则, 立体电子效应

Abstract: 31PNMRspectra of about 80 thiiphisphates synthesized in our laboratory weredetermined. An empirical additivity equation, a set of chemical shift parameters and stereo-electronic effect parameters, which were proposed by the authors, can be used for calculatingslPchemical shifts of phosphates and thiophosphates more accurately.The mean error andthe standard deviation between calculated and observed values of 31 Pchemical shifts are±0.096 and ±0.13 respectively. Structures of thiophosphates can be predicted by using theadditivity equation. The dependence of the 31Pchemical shifts upon electronegativity, bond-angle and stereoelectronic effect was discussed theoretically.

Key words: Thiophosphates, 31P NMR, Additivity rule, Stereoelectronic effect

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