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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+Δα+Δβ,该公式的置信度为95%,计算值与实验值的平均偏差为0.165ppm,计算值与实验值的标准偏差为0.610ppm。
Based on the results of previous studies on 19F NMR chemical shifts, the rules of 19F NMR chemical shifts were systematically summarized and analyzed. Finally, the least square method in regression analysis was used to determine the formula for calculating 19F NMR chemical shifts. The F test The calculated formula for the calculation of 19F NMR for a compound having a structure of CF2 = CF is given. The formula for calculating 19F NMR chemical shift is given by the formula: δcal = B + Δα + Δβ. The formula has a 95% confidence level and the average of the calculated value and the experimental value The deviation was 0.165 ppm, and the calculated standard deviation from the experimental value was 0.610 ppm.