Formation Constants of Multi-Specie Equilibria from

species distribution of multi-specie systems at equilibrium can be accomplished on small computer systems such as the IBM 1130 by using program SPECTR...
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Formation Constants of Multi-Specie Equilibria from Spectrophotometric Data Using Small Computer Systems The computation of formation constants and extinctlan coefficients which can be used to describe the spectra and species distribution of multi-specie systems a t equilibrium can be accomplished on small computer systems such as the IBM 1130 by using program SPECTRO-1130. SPECTRO-1130 was adapted from a program used on a CDC 6600 system. It is based on the Gaussian least squares method and involves the normal equations of Lingane and Hugus.' The mass balance is accomplished via a routine similar to one devised by L. G. Sil16n.z The program can handle a system with three complex species, including binuelear species, in equilibrium with free metal and free ligand. Data for up to ninety-nine solutions with absorbances at up to five wavelengths can be handled by this version of program. In addition to the experimental data, estimates of formation constants, errors and spectra of the eomplex species must be provided; also, the spectra of the metal and ligand must be accurately known. Output from the program includes refined values of the formation constants, molar absorbiincies of the complex species, and an error analysis. The program is written in Fortran, and copies and details are available from the author. ILingane, P. J., and Hugus, Jr., Z Z., Inorg. Chem., 9,757 (1970). Communication: P. F. Mentone.

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Kenneth R. Msgnell Central Michigan University Mt. Pleasant, 48858

Volume 50, Number 9.September 1973 / 619