Scandium complexes with the tetraphenylethylene and anthracene dianions

John E. Ellis, Mikhail E. Minyaev, Ilya E. Nifant’Ev, Andrei V. Churakov

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The structural study of Sc complexes containing dianions of anthracene and tetraphenylethylene should shed some light on the nature of rare-earth metal-carbon bonding. The crystal structures of (18-crown-6)bis(tetrahydrofuran-κO)sodium bis(η6-1,1,2,2-tetraphenylethenediyl)scandium(III) tetrahydrofuran disolvate, [Na(C4H8O)2(C12H24O6)][Sc(C26H20)2]·2C4H8O or [Na(18-crown-6)(THF)2][Sc(η6-C2Ph4)2]·2(THF), (1b), (η5-1,3-diphenylcyclopentadienyl)(tetrahydrofuran-κO)(η6-1,1,2,2-tetraphenylethenediyl)scandium(III) toluene hemisolvate, [Sc(C17H13)(C26H20)(C4H8O)]·0.5C7H8 or [(η5-1,3-Ph2C5H3)Sc(η6-C2Ph4)(THF)]·0.5(toluene), (5b), poly[[(μ233-anthracenediyl)bis(η6-anthracenediyl)bis(η5-1,3-diphenylcyclopentadienyl)tetrakis(tetrahydrofuran)dipotassiumdiscandium(III)] tetrahydrofuran monosolvate], {[K2Sc2(C14H10)3(C17H13)2(C4H8O)4]·C4H8O}n or [K(THF)2]2[(1,3-Ph2C5H3)2Sc2(C14H10)3]·THF, (6), and 1,4-diphenylcyclopenta-1,3-diene, C17H14, (3a), have been established. The [Sc(η6-C2Ph4)2]-complex anion in (1b) contains the tetraphenylethylene dianion in a symmetrical bis-η3-allyl coordination mode. The complex homoleptic [Sc(η6-C2Ph4)2]-anion retains its structure in THF solution, displaying hindered rotation of the coordinated phenyl rings. The1D1H and13C{1H}, and 2D COSY1H-1H and13C-1H NMR data are presented for M[Sc(Ph4C2)2]·xTHF [M = Na and x = 4 for (1a); M = K and x = 3.5 for (2a)] in THF-d8 media. Complex (5b) exhibits an unsymmetrical bis-η3-allyl coordination mode of the dianion, but this changes to a η4 coordination mode for (1,3-Ph2C5H3)Sc(Ph4C2)(THF)2, (5a), in THF-d8 solution. A 45Sc NMR study of (2a) and UV-Vis studies of (1a), (2a) and (5a) indicate a significant covalent contribution to the Sc-Ph4C2 bond character. The unique Sc ate complex, (6), contains three anthracenide dianions demonstrating both a η6-coordination mode for two bent ligands and a μ233-bridging mode of a flat ligand. Each [(1,3-Ph2C5H3)2Sc2(C14H10)3]2-dianionic unit is connected to four neighbouring units via short contacts with [K(THF)2]+ cations, forming a two-dimensional coordination polymer framework parallel to (001).

Original languageEnglish (US)
Pages (from-to)769-781
Number of pages13
JournalActa Crystallographica Section C: Structural Chemistry
StatePublished - 2018

Bibliographical note

Funding Information:
Funding for this research was provided by: US National Science Foundation program (grant No. CHE-0841014); The State Program of TIPS RAS supported by FASO Russia.

Publisher Copyright:
© 2018 International Union of Crystallography.


  • Anthracene
  • Crystal structure
  • Dianion
  • Diphenylcyclopentadiene
  • NMR
  • Rare-earth complex
  • Scandium
  • Tetraphenylethylene


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