Stability prediction of Cu2+, Ni2+ and Zn2+
N-salicylidene-aminoacidato complexes by models based on connectivity index 3
χ
v

• Authors: Ante Miličević , Nenad Raos
• Languages of publication: EN

Abstracts

EN

This paper presents models for the estimation of stability constants (K 1 and β 2) of nickel(II), copper(II) and zinc(II) mono- and bis-complexes with 5 Schiff bases (salicylideneglycine, salicylidenealanine, salicylideneserine, salicylidenephenylalanine, and salicylidenetyrosine). The models were based on the molecular-graph theory and valence molecular connectivity index of the 3rd order, 3χv , derived from it. Univariate linear models were developed for each metal separately, while in the common models for two and three metals, the indicator variable, In, was introduced. The standard error of models for the log K 1 constant was less than 0.12, while for log β 2 models, the S.E. did not exceed 0.14. [...]

Keywords

EN

Schiff bases; Trasition metal chelates; Topological indices; Regression models

• Publisher: De Gruyter Open
• Journal: Open Chemistry
• Year: 2014
• Volume: 12
• Issue: 1
• Pages: 74-79

Dates

published

1 - 1 - 2014

online

27 - 10 - 2013

Contributors

author

Ante Miličević

• Institute for Medical Research and Occupational Health, HR-10001, Zagreb, Croatia

author

Nenad Raos

• Institute for Medical Research and Occupational Health, HR-10001, Zagreb, Croatia

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Identifiers

DOI

10.2478/s11532-013-0345-x