基于LFHB 理论模型关联和预测醇+惰性溶剂的1H NMR 化学位移

doi:10.3866/PKU.WHXB20051120

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 Mode^l

LAN Rong; LI Hao-ran; HAN Shi-jun

Department of Chemistry, Zhejiang University, Hangzhou 310027

Received:2005-03-22 Revised:2005-05-10 Published:2005-11-15
Contact: LI Hao-ran E-mail:lihr@zju.edu.cn

Abstract

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

LAN Rong; LI Hao-ran; HAN Shi-jun. Correlation of 1H NMR Chemical Shift for Alcohol + Inert Solvent Mixtures by LFHB Mode^l[J]. Acta Phys. -Chim. Sin. 2005, 21(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 Mode^l

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Correlation of 1H NMR Chemical Shift for Alcohol + Inert Solvent Mixtures by LFHB Mode^l