Croatica Chemica Acta, Vol. 81 No. 3, 2008.
Izvorni znanstveni članak
The Use of Graph-theoretical Models to Evaluate Two Electroanalytical Methods for Determination of Stability Constants
Nenad Raos
; Institute for Medical Research and Occupational Health, Zagreb, Croatia
Gina Branica
; Institute for Medical Research and Occupational Health, Zagreb, Croatia
Ante Miličević
orcid.org/0000-0003-1536-6278
; Institute for Medical Research and Occupational Health, Zagreb, Croatia
Sažetak
Stability constants K1 and b2 of copper(II) complexes with alanine and its five N-alkylated and
N,N-dialkylated derivatives were measured by glass electrode potentiometry (GEP) and square
wave voltammetry (SWV) and evaluated using graph-theoretical models. Correlations with the
connectivity index of the 3rd order, 3cv, show that log K1(GEP) values were better reproduced
than log K1(SWV) values; S.E. = 0.18–0.16 vs. 0.29–0.35, respectively. The opposite is true for
log b2 (S.E. = 0.51–0.56 vs. 0.39–0.47 for GEP and SWV, respectively). By applying three criteria
– 1) difference between GEP and SWV values, 2) difference between SWV and theoretical
values, and 3) correlation of experimental error (S.E.exp) to the difference between experimental
and theoretical values – it was possible to determine three experimental log K1(SWV)
values as problematic. This report demonstrates the value of recently developed graph-theoretical
models in planning the experiments and discussing their results.
Ključne riječi
glass electrode potentiometry (GEP); square wave voltammetry (SWV); copper(II) chelates; amino acid; stability constant; topological indices
Hrčak ID:
31139
URI
Datum izdavanja:
15.11.2008.
Posjeta: 1.189 *