Determination and Use of Stability Constants Book

1 Introduction
1.1 Stability Constants - Early Work
1.2 Recent Developments
1.3 Historical Evolution of Computational Methods
1.4 Purpose of This Book
2 Equilibrium Constants, Protonation Constants, Formation Constants
2.1 Concentration Constants and Activity Constants
2.2 Conventions Employed for Expressing Equilibrium Constants
2.3 Equilibrium Constants and Stability Constants for Ca(II)-EDTA
2.4 Species Distribution Curves
3 Experimental Methods for Measuring Equilibrium Constants
3.1 Methods Available
3.2 Potentiometric pH Measurements
3.3 Displacement Methods
3.4 pH and p[H]
4 Experimental Procedure for Potentiometric p[H] Measurement of Metal Complex Equilibria
4.1 Materials
4.2 The Reaction Mixture
4.3 Calibration of the Potentiometric Apparatus
4.4 The Experimental Runs
4.5 Computation of Stability Constants
5 Common Errors and Their Elimination or Minimization
5.1 Measurement Errors
5.2 Calibration and Electrode Care
5.3 Reagents
5.4 Equilibrium Measurements
5.5 Calculations
5.6 Selection of the Model
6 Examples of Stability Constant Determinations
6.1 Iminodiacetic Acid (IDA)
6.2 Procedure for IDA
Calibration
Checking the electrode system
Initial data for IDA
Final calculation for IDA protonation constants
Lead(II)/IDA system
6.3 C-Bistren
6.4 Procedure for C-Bistren
CBT alone
Cu(II)/CBT system
Computation of Cu(II)/CBT stability constants
6.5 Determination of Stability Constants in the Presence of Competing Ligands
7 Macroscopic and Microscopic Constants
7.1 Some Definitions and Concepts
7.2 Ionization of Tyrosine
7.3 Macroscopic and MicroscopicProtonation Equilibria of DOPA
7.4 General Comments and Conclusions
8 Determination of Stability Constants and Species Concentration of Complex Systems
8.1 A Mixed-Ligand Binuclear Dioxygen System
8.2 Non-aqueous Solvents
8.3 Complex Multicomponent Systems
8.4 Equilibrium with Solid Phases
8.5 Equilibrium Involving Hydrolytic Species
8.6 Species Distributions of Hydroxo and Fluoro Complexes of Al(III)
9 Critical Stability Constants and Their Selection
9.1 General Criteria
Essential experimental control
Selection of a constant from a number of reported values
Reliability of investigator
Single investigator
Bibliography
9.2 Examples of Critical Data Selection
9.3 Need for Additional Critical Constants
10 Development of a Complete Critical Metal Complex Data Base
10.1 Introduction
10.2 Linear Stability Constant Correlations
10.3 Estimation of Stability Constants Not Measured Experimentally
10.4 Metal Speciation in Sea Water With and Without Added Ligands
Appendix I
Program PKAS
Appendix II
Program Best
Appendix III
Program SPE
Appendix IV
Scientific and Technical Fields Requiring Stability Data
Appendix V
Minimum Requirements