Abstract:
This thesis includes practical and research results related to the theoretical and
quantitative study of the magnetic properties of organometallic compounds that contain heavy
metals of the actinide family, in particular uranium f5, with a study of their physical and
chemical properties. Using the theory of relativistic density functional so that the quantification
of the constant spin-spin coupling is worked out by using the method of broken symmetry of
spin DFT/ZORA/B3LYP(BP86)/BS. We applied this method to four organometallic bimetallic
complexes of uranium U(IV)-U(IV) ethynediyl-bispyrazine diuranium [Cp3U]2(ethyne-1,2-
diyl)bis(pyrazi-4-ide), and U(V)-U(V) naphtalène-diimide [(MeC5H4)3UV]2(-1,5-N2C10H6]
and stilbène-diimide [(MeC5H4)3UV]2( -1,2-(4-NC6H4)2-C2H2. The results obtained confirm
the effectiveness of the method used in all respects, since it is consistent with the published
experimental results.
