Journal of Solution Chemistry

, Volume 26, Issue 8, pp 817–832 | Cite as

Graphical method for the determination of the complex NMR shift and equilibrium constant for a hetero-association accompanying self-associations

  • Chi-Chyuang Lin
  • Cheng-Yu Fang
  • Dah-Yu Kao
  • Jenn-Shing Chen


We describe a novel graphical method which, in conjunction with the previously proposed graphical determination of monomer shift, dimer shift, and dimerization constant for self-association, allows us to determine the complex shift and equilibrium constant for a hetero-association, A + B ⇌ AB, accompanying self-associations, A + A ⇌ A2, and B + B ⇌ B2. The merit of the new method includes the removal of the restrictions imposed on the conventional Benesi-Hildebrand (B-H) plot: (1) that the concentration of one component must be much less than that of the other; (2) that there be no accompanying self-association. The simultaneous equilibrium of the self-association of 2-pyrrolidone (A) and that of 4-methyl-α-pyrrolidone (B) and the hetero-association between A and B in acetonitrile-d3 at 25‡C is studied. The inappropriateness of the B-H plot in dealing with this case is also pointed out.

Key words

Self-association hetero-association NMR shift graphical method 


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Copyright information

© Plenum Publishing Corporation 1997

Authors and Affiliations

  • Chi-Chyuang Lin
    • 1
  • Cheng-Yu Fang
    • 1
  • Dah-Yu Kao
    • 1
  • Jenn-Shing Chen
    • 1
  1. 1.Department of Applied ChemistryNational Chiao Tung UniversityHsin ChuTaiwan

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