Theoretical treatment of the complexation of element 106, Sg, in HF solutions

@article{Pershina2004TheoreticalTO,
  title={Theoretical treatment of the complexation of element 106, Sg, in HF solutions},
  author={Valeria Pershina},
  journal={Radiochimica Acta},
  year={2004},
  volume={92},
  pages={455 - 462}
}
Fully relativistic density-functional calculations of the electronic structures of various oxo-fluoro-complexes were performed for group-6 elements Mo, W, and element 106, Sg. Based on the electronic density distribution data, relative values of the free energy change of complex formation reactions in HF solutions have been defined. On their basis, sequences in the sorption of Mo, W, and Sg by an anion exchange resin (K d values) have been predicted. The results show a complex situation… CONTINUE READING

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