Naslov
Estimation of Stability of Cadmium(II) Mono- Complexes with Monodentate and Bidentate Ligands by Models Based on 3χv Connectivity Index

Autori
Miličević, Ante ; Raos, Nenad

Izvornik
Acta chimica Slovenica (1318-0207) 59 (2012), 1; 194-198

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, kratko priopcenje, znanstveni

Ključne riječi
Stability constants; coordination compounds; theoretical models; topological indices; 2-hydroxycarboxylic acids; amino acids

Sažetak
Based on the quadratic function used previously for the estimation of copper(II) amino acid mono- complexes, we developed the model for the estimation of the stability constant K1 of cadmium(II) complexes with five amino acids (glycine, alanine, 2-aminobutanoic, 2- aminopentanoic, and 2-aminohexanoic acid). The model gave R2 = 0.960 and S.E. = 0.03. Also, for the first time we proposed (univariate linear) model for the estimation of K1 of complexes with monodentate ligands, namely the Cd(II) complexes with methanoic, ethanoic, propanoic, 2- methylpropanoic, butanoic, 2-methylbutanoic, 2- hydroxyethanoic, 2-hydroxypropanoic and 2- hydroxybutanoic acid. The model is capable to discriminate monodentate from bidentate ligands ; much better statistic was obtained (R2 = 0.966 and S.E. = 0.05) if 2-hydroxybutanoic acid was assumed to be bidentate.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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