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Irving-Williams Order in the Framework of Connectivity Index 3χv Enables Simultaneous Prediction of Stability Constants of Bivalent Transition Metal Complexes


Miličević, Ante; Branica, Gina; Raos, Nenad
Irving-Williams Order in the Framework of Connectivity Index 3χv Enables Simultaneous Prediction of Stability Constants of Bivalent Transition Metal Complexes // Molecules, 16 (2011), 2; 1103-1112 doi:10.3390/molecules16021103 (međunarodna recenzija, članak, znanstveni)


Naslov
Irving-Williams Order in the Framework of Connectivity Index 3χv Enables Simultaneous Prediction of Stability Constants of Bivalent Transition Metal Complexes

Autori
Miličević, Ante ; Branica, Gina ; Raos, Nenad

Izvornik
Molecules (1420-3049) 16 (2011), 2; 1103-1112

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
amino acid chelates; topological indices; regression models

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija

Napomena
This article belongs to the Special Issue Organometallic Chemistry.



POVEZANOST RADA


Projekt / tema
022-0222148-2822 - Modeliranje i međudjelovanje kompleksa prijelaznih metala i bioliganada (Jasmina Sabolović, )
022-1770495-2901 - Razvoj modela za procjenu vrijednosti konstanti stabilnosti (Nenad Raos, )

Ustanove
Institut za medicinska istraživanja i medicinu rada, Zagreb

Profili:

Avatar Url Gina Branica (autor)

Avatar Url Nenad Raos (autor)

Avatar Url Ante Miličević (autor)

Citiraj ovu publikaciju

Miličević, Ante; Branica, Gina; Raos, Nenad
Irving-Williams Order in the Framework of Connectivity Index 3χv Enables Simultaneous Prediction of Stability Constants of Bivalent Transition Metal Complexes // Molecules, 16 (2011), 2; 1103-1112 doi:10.3390/molecules16021103 (međunarodna recenzija, članak, znanstveni)
Miličević, A., Branica, G. & Raos, N. (2011) Irving-Williams Order in the Framework of Connectivity Index 3χv Enables Simultaneous Prediction of Stability Constants of Bivalent Transition Metal Complexes. Molecules, 16 (2), 1103-1112 doi:10.3390/molecules16021103.
@article{article, year = {2011}, pages = {1103-1112}, DOI = {10.3390/molecules16021103}, keywords = {amino acid chelates, topological indices, regression models}, journal = {Molecules}, doi = {10.3390/molecules16021103}, volume = {16}, number = {2}, issn = {1420-3049}, title = {Irving-Williams Order in the Framework of Connectivity Index 3χv Enables Simultaneous Prediction of Stability Constants of Bivalent Transition Metal Complexes}, keyword = {amino acid chelates, topological indices, regression models} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus
  • MEDLINE


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