Chinese Journal of Magnetic Resonance ›› 2006, Vol. 23 ›› Issue (2): 225-240.

• Articles • Previous Articles     Next Articles

Calculation of 15N NMR Chemical Shifts of Amino Groups in Aliphatic Anilines

  

  1. 1.Institute of Applied Chemistry, Shaanxi University of Science and Technology, Xianyang 712081, China; 
    2.Zhejiang Provincial Key Laboratory of Leather Engineering, Wenzhou University, Wenzhou 325027, China
  • Received:2005-08-24 Revised:2005-10-22 Published:2006-06-05 Online:2006-06-05
  • Supported by:

    陕西省自然科学基金资助项目(2003B17).

Abstract:

This paper provides an equation: δcal15N)=-380.2+ΣΔα+ΣΔβ+ΣΔγ+ΣΔδC  for calculation of 15N chemical shifts of substituted aliphatic amines. Eleven substituent parameters were obtained by linear least square regression analysis. The calculated results were checked regressively by 133 15N NMR chemical shifts of 133 substituted aliphatic amines. The confidence limit was 99.5 % and the calculating errors for about 94.7 % of the compounds were less than δ 5 (with relative errors of 0.5 %).

Key words: 15N NMR, chemical shift, substituent effect, aliphatic amines, amino group

CLC Number: