EPSILON: a versatile microcomputer program for the spectrophotometric data analysis of metal-ligand equilibria

被引：12

作者：

Araujo, CL ^{[1
]}

Ibanez, GA ^{[1
]}

Ledesma, GN ^{[1
]}

Escandar, GM ^{[1
]}

Olivieri, AC ^{[1
]}

机构：

[1] Univ Nacl Rosario, Fac Ciencias Bioquim & Farmaceut, Dept Quim Analit, RA-2000 Rosario, Argentina

来源：

COMPUTERS & CHEMISTRY | 1998年 / 22卷 / 2-3期

关键词：

spectrophotometry; ligand binding; co-ordination; metal; titration; equilibria;

D O I：

10.1016/S0097-8485(97)00061-2

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We have developed the microcomputer program EPSILON which allows the computation of equilibrium constants and extinction coefficients of several interacting species from spectrophotometric single- and multi-wavelength pH-titration data. Novel features of EPSILON include: easy treatment of the data through a windowed environment, minimization of errors with respect to the read variable (absorbance), simultaneous plotting of both the spectrophotometric titration curve and the species distribution as a function of pH during refinement and estimation of standard deviations:for the refined parameters. Several examples of applications are provided and discussed in order to illustrate the use of EPSILON. The results are compared with literature values and with those obtained by BEST from potentiometric data. (C) 1998 Elsevier Science Ltd. All rights reserved.

引用

页码：161 / 168

页数：8

共 31 条

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