caa a22 4500 378930974 CHVBK 20180305123629.0 cr unu---uuuuu 161128e20040801xx s 000 0 eng 10.1524/ract.92.8.455.39279 doi (NATIONALLICENCE)gruyter-10.1524/ract.92.8.455.39279 Pershina V. Theoretical treatment of the complexation of element 106, Sg, in HF solutions [Elektronische Daten] [V. Pershina] 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 (Kd values) have been predicted. The results show a complex situation depending on the acid concentration and pH of the solution. The predicted trends are in agreement with the known data for Mo and W. The following sequence in the sorption of Mo, W, and Sg by an anion exchange resin from 5×10-3HF/0.1M HNO3 solutions is predicted: Mo>Sg>W. A very good separation of Sg from Mo and W is expected at concentrated HF solutions, where MOF5- is formed. The sequence of the sorption in this case should be Sg ≫W > Mo. © 2004 Oldenbourg Wissenschaftsverlag GmbH Laboratory techniques, experiments nationallicence Analytical chemistry nationallicence Inorganic chemistry nationallicence Radiochimica Acta/International journal for chemical aspects of nuclear science and technology Oldenbourg Wissenschaftsverlag GmbH 92/8/2004(2004-08-01), 455-462 0033-8230 92:8/2004<455 2004 92 ract https://doi.org/10.1524/ract.92.8.455.39279 text/html Onlinezugriff via DOI 1 research article jats NATIONALLICENCE 856 40 https://doi.org/10.1524/ract.92.8.455.39279 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Pershina V. NATIONALLICENCE 773 0- Radiochimica Acta/International journal for chemical aspects of nuclear science and technology Oldenbourg Wissenschaftsverlag GmbH 92/8/2004(2004-08-01), 455-462 0033-8230 92:8/2004<455 2004 92 ract CC0 http://creativecommons.org/publicdomain/zero/1.0 nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-gruyter