Tris(pyrazolyl)phosphine oxide and Tris(triazolyl)phosphine oxide scorpion ligands

Cornelis G.J. Tazelaar, Volodymyr Lyaskovskyy, Ilana M. Van Doorn, Xander Schaapkens, Martin Lutz, Andreas W. Ehlers, J. Chris Slootweg, Koop Lammertsma

Research output: Contribution to journalArticlepeer-review

11 Citations (Scopus)


DFT calculations were performed on copper(I) complexes of neutral scorpion ligands based on either pyrazolyl (Pz) or triazolyl (Tz) rings with both methane and phosphine oxide apexes, that is, HC(Pz)3, OP(Pz)3, HC(Tz)3, and OP(Tz)3. The analyses reveal that all four ligands have similar donor properties and that their differences are easily compensated by the proper choice of substituents. This computational study strongly suggests that the readily synthesizable neutral phosphine oxide capped scorpion ligands should have broad applicability. Experimentally, the two OP-capped ligands act differently on copper(I) complexation. With OP(Tz) 3, a crystallographically characterized dimeric tris(triazolyl) phosphine oxide based copper(I) complex was obtained, whereas instead a monomer was reported for OP(Pz)3.

Original languageEnglish
Pages (from-to)1836-1842
Number of pages7
JournalEuropean Journal of Inorganic Chemistry
Issue number10
Publication statusPublished - Apr 2014
Externally publishedYes


  • Copper
  • Density functional calculations
  • Transition metals
  • Tridentate ligands
  • Tripodal ligands

ASJC Scopus subject areas

  • Inorganic Chemistry


Dive into the research topics of 'Tris(pyrazolyl)phosphine oxide and Tris(triazolyl)phosphine oxide scorpion ligands'. Together they form a unique fingerprint.

Cite this