title: Irving-Williams order in the framework of connectivity index ³χv enables simultaneous prediction of stability constants of bivalent transition metal complexes.
abstract: Logarithms of stability constants, log K₁ and log β₂, of the first transition series metal mono- and bis-complexes with any of four aliphatic amino acids (glycine, alanine, valine and leucine) decrease monotonously with third order valence connectivity index, ³χv, from Cu²+ to Mn²+. While stability of the complexes with the same metal is linearly dependent on ³χv, stability constants of Mn²+, Fe²+, Co²+, and Ni²+complexes with the same ligand show a quadratic dependence on ³χv. As Cu²+ complexes deviate significantly from quadratic functions, models for the simultaneous estimation of the stability constants, yielding r = 0.999 (S.E. = 0.05) and r = 0.998 (S.E. = 0.11), for log K₁ and log β₂, respectively, were developed only for Mn²+, Fe²+, Co²+, and Ni²+ complexes with amino acids.
authors.affiliation: Institute for Medical Research and Occuptional Health, Ksaverska C. 2, P.O. Box 291, HR-10001 Zagreb, Croatia. antem@imi.hr
authors.forename: Ante
authors.initials: A
authors.lastname: Milicevic
authors.forename: Gina
authors.initials: G
authors.lastname: Branica
authors.forename: Nenad
authors.initials: N
authors.lastname: Raos
mesh_terms: D000596:Amino Acids / Q000737:chemistry; D056831:Coordination Complexes / Q000737:chemistry*; D008670:Metals / Q000737:chemistry*; D013816:Thermodynamics; D028561:Transition Elements / Q000737:chemistry*
chemical_list: D000596:Amino Acids; D056831:Coordination Complexes; D008670:Metals; D028561:Transition Elements