Tris(pyrazolyl)phosphine Oxide and Tris(triazolyl)phosphine Oxide Scorpion Ligands

descriptionPublicationkeyboard_double_arrow_right Article 17 Dec 2013 Netherlands English Publisher:WileyJournal:European Journal of Inorganic Chemistry, volume 2,014, pages 1,836-1,842 (issn: 1434-1948, eissn: 1099-0682,

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Authors: Tazelaar, Cornelis G J; Lyaskovskyy, Volodymyr; Van Doorn, Ilana M.; Schaapkens, Xander; Lutz, Martin; Ehlers, Andreas W.; Slootweg, Jack; +1 Authors

doi: 10.1002/ejic.201301352

handle: 1871.1/296fe36e-8e13-4017-b432-3160eb619d88

Tris(pyrazolyl)phosphine Oxide and Tris(triazolyl)phosphine Oxide Scorpion Ligands

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Abstract

AbstractDFT 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.

Country

Netherlands

Related Organizations

Vrije Universiteit Amsterdam
Netherlands
Utrecht University
Netherlands
University of Amsterdam
Netherlands

Keywords

Inorganic Chemistry, Tridentate ligands, Density functional calculations, Transition metals, Tripodal ligands, SDG 14 - Life Below Water, Copper

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