A Nonlinear Least-Squares Program for the Evaluation of Formation Constants of Metal Complexes
  • D. D. Perrin
  • H. Stunzi
Part of the Modern Inorganic Chemistry book series (MICE)


Bjerrum’s enbar (n̅) approach,(1) provided a useful tool in studying quantitatively the stepwise formation of mononuclear complexes, but this method failed if polynuclear, protonated, or hydrolyzed species were present. The use of electronic digital computers overcame this barrier: programs were developed in which formation constants were sought by minimizing the sums of squares of residuals in “analytical hydrogen ion concentrations.” The residual is the difference between the experimental value and the amount calculated from the pH and the concentrations of all species using computed constants. (a general discussion of least-squares calculations has been presented by Wentworth.(2))


Stability Constant Formation Constant Ligand Concentration Numerical Differentiation Main Program 


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Copyright information

© Plenum Press, New York 1985

Authors and Affiliations

  • D. D. Perrin
    • 1
  • H. Stunzi
    • 1
  1. 1.Medical Chemistry Group, The John Curtin School of Medical ResearchThe Australian National UniversityCanberra CityAustralia

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