Theoretical Modeling (Sparkle RM1 and PM7) and Crystal Structures of the Luminescent Dinuclear Sm(III) and Eu(III) Complexes of 6,6,7,7,8,8,8- Heptafluoro-2,2-dimethyl-3,5-octanedione and 2,3-Bis(2-pyridyl)pyrazine: Determination of Individual Spectroscopic Parameters for Two Unique Eu³⁺ Sites.

ABSTRACT: Heteroleptic homo dinuclear complexes [Sm(fod)₃(μ-bpp)Sm(fod)₃] and [Eu(fod)₃(μ-bpp)Eu(fod)₃] and their diamagnetic analogue [Lu(fod)₃(μ-bpp)Lu(fod)₃] (fod is the anion of 6,6,7,7,8,8,8- heptafluoro-2,2-dimethyl-3,5-octanedione (Hfod) and bpp is 2,3-bis(2-pyridyl)pyrazine) are synthesized and thoroughly characterized. The lanthanum gave a 1:1 adduct of La(fod)₃ and bpp with the molecular formula of [La(fod)₃bpp]. The ¹H NMR and ¹H-¹H COSY spectra of the complexes were used to assign the proton resonances. In the case of paramagnetic Sm³⁺ and Eu³⁺ complexes, the methine (of the fod moiety) and the bpp resonances are shifted in the opposite direction

SUBMITTER: Ganaie AB 

PROVIDER: S-EPMC8387994 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature