A CONVENIENT SPREADSHEET APPROACH TO THE CALCULATION OF STABILITY-CONSTANTS AND THE SIMULATION OF KINETICS

被引：27

作者：

HUSKENS, J

VANBEKKUM, H

PETERS, JA

机构：

[1] Laboratory of Organic Chemistry and Catalysis, Delft University of Technology, 2628 BL Delft

来源：

COMPUTERS & CHEMISTRY | 1995年 / 19卷 / 04期

关键词：

D O I：

10.1016/0097-8485(95)00042-Q

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The described spreadsheet approach is a versatile method for processing data on metal ligand complexes in solution. It provides not only speciations vs pH, but also simulates potentiometric and spectroscopic titrations. Furthermore, metal ligand stability constants can be calculated from potentiometric or spectroscopic data. The approach puts no extra constraints on the experimental conditions of the titrations. Kinetics can be simulated, incorporating complex kinetic equations. Various examples, mostly concerning lanthanide(III) complexation, are provided.

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页码：409 / 416

页数：8

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