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| 具有CF2=CF结构的化合物中19F NMR化学位移的计算 | |
| 引用本文： | 李燕,李临生,兰云军,王春林.具有CF2=CF结构的化合物中19F NMR化学位移的计算[J].光谱实验室,2011,28(4):1820-1823. |
| 作者姓名： | 李燕 李临生 兰云军 王春林 |
| 作者单位： | 1. 陇东学院化学化工学院 甘肃省庆阳市西峰区南大街137号745000;陕西科技大学应用化学研究所 西安市710021;温州大学浙江省皮革重点实验室 浙江省温州市325027 2. 陕西科技大学应用化学研究所 西安市710021;温州大学浙江省皮革重点实验室 浙江省温州市325027 3. 温州大学浙江省皮革重点实验室 浙江省温州市325027 4. 陇东学院科技处 甘肃省庆阳市745000 |
| 摘 要： | 系统总结和分析前人对19F NMR化学位移研究成果的基础上,对19F NMR化学位移的规律进行研究,最终确定用回归分析中的最小二乘法来确定计算19F NMR化学位移的公式,并用F检验法对所得计算公式进行检验,给出了具有CF2=CF结构的化合物中19F NMR化学位移的计算公式δcal=B+△α+△β,该公式的置信度为9... |
| 关 键 词： | 核磁共振 化学位移 计算公式 置信度 |
The Calculation of 19F NMR Chemical Shifts of CF2=CF Compounds |
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| LI Yan,LI Lin-Sheng,LAN Yun-Jun,WANG Chun-Lin.The Calculation of 19F NMR Chemical Shifts of CF2=CF Compounds[J].Chinese Journal of Spectroscopy Laboratory,2011,28(4):1820-1823. | |
| Authors: | LI Yan LI Lin-Sheng LAN Yun-Jun WANG Chun-Lin |
| Institution: | da(College of Chemistry and Chemical Engineering,Longdong University,Qingyang,Gansu 745000,P.R.China)b(Institute of Applied Chemistry,Shaanxi University of Science and Technology,Xi′an 710021,P.R.China)c(Key Laboratory of Leather,Wenzhou University,Wenzhou,Zhejiang 325027,P.R.China)d(College of Science and Technology,Longdong University,Qingyang 745000,China) |
| Abstract: | Based on the systematical summarization and analysis of research on results of 19F NMR chemical shift,the rules of 19F NMR chemical shifts were investigated,and the least square method in regression analysis was used to calculate the formula of the 19F NMR chemical shifts.The obtained formula was tasted by F test method.It was summarized as follows： calculation formula was δcal=B＋Δα＋Δβ＋Δγ for containing CF2=CF compounds,and the confidence limit of this formula was 95%,and average deviation and standard deviation respectively were 0.165ppm and 0.610ppm between calculation value and experiment value. |
| Keywords: | NMR Chemical Shifts Formula Confidence Limit |
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