Original scientific paper
https://doi.org/10.2478/10004-1254-60-2009-1923
Estimation of Stability Constants of Coordination Compounds using Models Based on Topological Indices
Nenad Raos
; Institute for Medical Research and Occupational Health, Zagreb, Croatia
Ante Miličević
; Institute for Medical Research and Occupational Health, Zagreb, Croatia
Abstract
The principal aim of our research was to develop theoretical models for estimating stability constants of coordination compounds, focusing on chelates of heavy metals, Cu(II) and Ni(II), with bioligands (amines, amino acids and peptides). We tried to solve the problem using graph-theoretical models. We also encountered a specifi c problem for coordination compounds – the choice of the constitutional formula, that is graph, of the complex species.
Keywords
copper(II) chelates; nickel(II) chelates; valence connectivity index
Hrčak ID:
34883
URI
Publication date:
27.3.2009.
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