Chinese Journal of Magnetic Resonance

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STUDY OF 17O-NMR CHEMICAL SHIFTS OF SUBSTITUTED METHYLPHENYLETHER

LI Li-dong, LI Lin-sheng*   

  1. Research Center of Applied Chemistry in University of Science and Technology of  Shan'xi, Xianyang 712081, China
  • Published:2002-09-05 Online:2002-09-05
  • About author:*Correspondence author

Abstract:

This paper provides a equation[1]δcal=δ0omp  for calculation of 17O chemical shifts of substitute d methylphenylethers. 20 substituent parameters are gained by linear least square regression analysis. The calculated results are checked regressively by 101 17O-NMR chemical shifts of 78 substituted methylphenylethers. The confidence  limit is 99.5%  and calculating errors for about 90% of the compounds are less than 5 ppm (with relative errors of 0.5%).

Key words: 17O-NMR, chemical shift, substituent effect, regression analysis, least square, methylphenylether

CLC Number: