Chinese Journal of Magnetic Resonance ›› 2005, Vol. 22 ›› Issue (1): 73-78.

• Articles • Previous Articles     Next Articles

Carbonyl 17O-NMR Chemical Shifts of Substituted Benzamides

  

  1. Research Center of Applied Chemistry,  University of Science and Technology of Shanxi,  Xianyang 712081,  China
  • Received:2004-08-09 Revised:2004-11-01 Online:2005-03-05 Published:2005-03-05
  • Supported by:

    陕西省自然科学基金项目(2003B17).

Abstract:

This paper provides a equation,  δcal(17O)=δ0n+C×Σ Δ,  for calculating carbonyl 17O chemical shifts of substituted benzamides,  substituted N-methyl benzamides and substituted N, N-dimethyl benzamides. Eleven substituent parameters were obtained by least square linear regression analysis. The equation is checked regressively by 33 carbonyl \{\}\+\{17\}O chemical shifts of these compounds,  and the results show that the confidence limit is 99.5% and the calculating errors (Δδ) of more than 90% of the compounds are less than 1.0 (relative errors less than 0.1%).

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

CLC Number: