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Complexes between divalent metals and carboxylic acids: Semiempirical study

✍ Scribed by Urmas Muinasmaa; Peeter Burk; Jaan Pentchuk

Publisher: John Wiley and Sons
Year: 1997
Tongue: English
Weight: 150 KB
Volume: 62
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1997)62:6<653::aid-qua8>3.0.co;2-v

No coin nor oath required. For personal study only.

✦ Synopsis

The possibility to predict the stability constants of the complexes of magnesium, zinc, cadmium, and lead cations with anions of different carboxylic acids by PM3 calculations was investigated. Linear correlation between calculated complexformation reaction enthalpies and experimentally measured stability constants were obtained for complexes of each metal, while the overall correlation was not satisfactory.

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