Login / Signup

Formation and structural characterization of a europium(II) mono(scorpionate) complex and a sterically crowded pyraza-bole.

Phil LiebingMarcel KühlingJosef TakatsLiane HilfertFrank T Edelmann
Published in: Acta crystallographica. Section E, Crystallographic communications (2017)
The reaction of EuI2(THF)2 with potassium hydro-tris-(3,5-diiso-propyl-pyrazol-yl)borate (K[HB(3,5- iPr2pz)3] (= KTp iPr2, pz = pyrazol-yl) in a molar ratio of 1:1.5 resulted in extensive ligand fragmentation and formation of the europium(II) mono(scorpionate) complex bis-(3,5-diisopropyl-1H-pyrazole)[hydro-tris-(3,5-diiso-propyl-pyrazol-yl)borato]iodido-europium(II), [Eu(C27H46BN6)I(C9H16N2)2] or (Tp iPr2)(3,5- iPr2pzH)2EuIII, 1, in high yield (78%). As a typical by-product, small amounts of the sterically crowded pyraza-bole derivative trans-4,8-bis-(3,5-diiso-propyl-pyrazol-1-yl)-1,3,5,7-tetra-iso-propyl-pyraza-bole, C36H62B2H8 or trans-{(3,5- iPr2pz)HB(μ-3,5- iPr2pz)}2, 2, were formed. Both title compounds have been structurally characterized through single-crystal X-ray diffraction. In 1, two isopropyl groups are each disordered over two orientations with occupancy ratios of 0.574 (10):0.426 (10) and 0.719 (16):0.281 (16). In 2, one isopropyl group is similarly disordered, occupancy ratio 0.649 (9):0.351 (9).
Keyphrases
  • ionic liquid
  • high resolution
  • molecular docking
  • computed tomography