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Tris(pyrazolyl)phosphine Oxide and Tris(triazolyl)phosphine Oxide Scorpion Ligands
Author(s) -
Tazelaar Cornelis G. J.,
Lyaskovskyy Volodymyr,
van Doorn Ilana M.,
Schaapkens Xander,
Lutz Martin,
Ehlers Andreas W.,
Slootweg J. Chris,
Lammertsma Koop
Publication year - 2014
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201301352
Subject(s) - chemistry , phosphine oxide , phosphine , tris , copper , oxide , monomer , stereochemistry , medicinal chemistry , organic chemistry , polymer , biochemistry , catalysis
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 .