Acta Phys. -Chim. Sin. ›› 2005, Vol. 21 ›› Issue (11): 1295-1298.doi: 10.3866/PKU.WHXB20051120

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Correlation of 1H NMR Chemical Shift for Alcohol + Inert Solvent Mixtures by LFHB Model

LAN Rong; LI Hao-ran; HAN Shi-jun   

  1. Department of Chemistry, Zhejiang University, Hangzhou 310027
  • Received:2005-03-22 Revised:2005-05-10 Published:2005-11-15
  • Contact: LI Hao-ran

Abstract: The lattice-fluid hydrogen bond equation of state model(LFHB model) is used to correlate 1H NMR chemical shift of the proton in hydroxyl(—OH) of alcohol + inert solvent mixtures. The 29 sets of data for 17 systems are correlated using only one parameter. In addition, this parameter can be used to predict the chemical shift of mixtures at different temperatures.

Key words: 1H NMR chemical shift, Hydrogen bond, Lattice fluid theory, Alcohol