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Dzharlagasova D. N., Zakharova T. V., Pozharov M. V. Quantum-chemical Studies of Several Lanthanide Compounds with Products of Starch Thermal Decomposition. Izvestiya of Saratov University. Chemistry. Biology. Ecology, 2018, vol. 18, iss. 2, pp. 134-139. DOI:

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Quantum-chemical Studies of Several Lanthanide Compounds with Products of Starch Thermal Decomposition


Lanthanide complexes with organic ligands (including hydrocarbons) find application in medicien as luminescent biomarkers for various pathogenic bacteria. At the same time, starch (as a polysaccharide) can serve as a source for carbon nanoparticles (via thermal decomposition) that have very intensive and longliving luminescence, thus such nanoparticles conjunctioned with lanthanides may be used to create more effective medical probes. This paper presents the results of quantum chemical study of geometry and electronic structure parameters of several europium complexes with pieces of starch molecules and starch thermal decomposition products (glucose, fructose, levoglucosan). The most thermodynamically stable starch-Eu complex has metal-to-ligand ratio of 1 : 5 while the least stable one is Eu-levoglucosan complex. Lanthanide-starch complexes also prove to be most effective electron donors out of studied compounds with their donor capacity decreasing as the number of starch mononers decrease. Eu and Tb complexes with invidual compounds (glucose, fructose and levoglucosan) have low donoracceptor activity as their boundary orbitals lie much lower than Fermi level. Starch and glucose may potentially facilitate electron transfers between π-electrons of carbohydrate ligand and excited orbitals of lanthanide ions.


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