ИСТИНА

A new type of heterocyclic “hard-and-soft” ligands (1-3) for f-elements binding was proposed from the basis of DFT simulation (PBE, B3LYP, cc-pVDZ and cc-pVTZ basis sets). The efficient methods for the scalable preparation of the reagents starting from corresponding heterocyclic acids or halides were developed. The structure of the ligands was estimated by X-Ray. All of the synthesized reagents show americium over europium selectivity on extraction from 0.5-5M nitric acid to polar diluents (FS-13, F-3, nitrobenzene). For the first time the significant affect of P,P-diasteriomers (type 3) on extraction was observed. Solvate numbers for the extractants strongly depends on the number of donating atoms and less on their nature (P=O or C=O). The model Eu complexes were prepared for most of the extractants of type 2 and 3 of structurally characterized.Phosphinoxides of type 1 possess the better among them efficiency in Am/Cm separation (SFAm/Cm 2.9-3.5 from 0.1-3M HNO3) which was estimated based on three methods γ-, α- and liquid-scintillation spectrometry. Most of diamides of type 2 show SFAm/Cm 1.5-2.0 from 3M HNO3.