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Graphic Method for the Determination of the Complex NMR Shift and Equilibrium Constant for a Hetero-Association Accompanying a Self-Association

J.-S. Chen
J.-C. Shiao
Journal / Anthology

Journal of the Chemical Society - Faraday Transactions
Year: 1994
Volume: 90
Issue: 3
Page range: 429-433

A novel graphic method to determine the complex shift and equilibrium constant for a hetero-association. A + B =AB, accompanying a self-association A + A = A2 has been described. The method is to be used in conjunction with a graphic determination of the monomer shift, dimer shift and dimerization constant proposed previously. Our new method is advantageous over the conventional Benesi-Hildebrand (BH) plot in that the limitations, (1) that the concentration of one component must be much less than that of the other and (2) that self-association of species is not allowed, are completely removed. The related parameters of the self-association of 2-isopropylphenol (A) and the hetero-association of 2-isopropylphenol with acetone (B) in the inert solvent [2H12]cyclohexane has been used to demonstrate the use of this new graphic method. Comparison with the results from a BH plot has also been made.

*Science > Chemistry