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

This paper presents models for the estimation of stability constants (K1 and β2) 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 K1 constant was less than 0.12, while for log β2 models, the S.E. did not exceed 0.14.

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

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