An objective computer-oriented method for the calculation of formation constants from the formation function. A weighted least-squares curve fitting
✍ Scribed by Yousry L. Sidrak; A. Aboul-Seoud
- Publisher
- John Wiley and Sons
- Year
- 1987
- Tongue
- English
- Weight
- 405 KB
- Volume
- 8
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
✦ Synopsis
A computer program has been developed that calculates, using the weighted least-squares technique, the overall formation constants, Bi, of mononuclear complexes, the standard deviations of Bi, SDV,, and an estimate of goodness of fit, Goodness-of-Fit Parameter (GOFP), given a set of average ligand numbers, VNJ, the corresponding free ligand concentrations, VAj, and an error parameter P. The formation function used is ZCVN, -i) (Bi) * CVA,)' = 0 where i ranges from 0 to n with a maximum of 10 a n d j ranges from 0 to 1 with a maximum of 40. The Bi and (Bi -SDVA must be positive and GOFP must be either unity or as close to unity as possible. An option is available that allows the computation ofP, if it is not provided, so that GOFP is equal or very close to unity. The method has been applied to the formation of the complexes Cadmium-Imidazole, Cobalt(II)-Bis(2-Quinaldylphenyl Ketone), Copper-Ammonia, Silver-4-Aminobutan-1-01 Nitrate, and Copper(II)-Bis(2-Quinaldylphenyl Ketone). The results are quite satisfactory and reliable as compared with other computational techniques. Input data and results for the five complexes mentioned are shown.