Vol 68 No 1 (2023): Journal of the Chilean Chemical Society
Original Research Papers


Carlos Soloaga Ardiles
Universidad de Tarapacá
Published May 3, 2023
  • Alginate-graphene oxide mixture,
  • adsorption metals,
  • DFT,
  • NBO,
  • ELF,
  • ...More
How to Cite


In the present study, the interaction of transition cations in their divalent states Cu2+, Co2+, Zn2+ and Mn2+, which act as bridges when interacting with carboxylic groups of alginate and graphene oxide, was studied. The chemical nature of the interactions under study was determined using the natural bond orbitals (NBO) method, topological analysis of the electronic location function (ELF), and the quantum theory of atoms in molecules (QTAIM). The results showed that the interactions between the metals under study with the carboxylic groups of alginate and graphene oxide are of the coordinated type with a high electrostatic component.



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