@article{41010,
  abstract     = {{We present the η3-coordination of the 2-phosphaethynthiolate anion in the complex (PN)2La(SCP) (2) [PN=N-(2-(diisopropylphosphanyl)-4-methylphenyl)-2,4,6-trimethylanilide)]. Structural comparison with dinuclear thiocyanate-bridged (PN)2La(μ-1,3-SCN)2La(PN)2 (3) and azide-bridged (PN)2La(μ-1,3-N3)2La(PN)2 (4) complexes indicates that the [SCP]− coordination mode is mainly governed by electronic, rather than steric factors. Quantum mechanical investigations reveal large contributions of the antibonding π*-orbital of the [SCP]− ligand to the LUMO of complex 2, rendering it the ideal precursor for the first functionalization of the [SCP]− anion. Complex 2 was therefore reacted with CAACs which induced a selective rearrangement of the [SCP]− ligand to form the first CAAC stabilized group 15–group 16 fulminate-type complexes (PN)2La{SPC(RCAAC)} (5 a,b, R=Ad, Me). A detailed reaction mechanism for the SCP-to-SPC isomerization is proposed based on DFT calculations.}},
  author       = {{Watt, Fabian A. and Burkhardt, Lukas and Schoch, Roland and Mitzinger, Stefan and Bauer, Matthias and Weigend, Florian and Goicoechea, Jose M. and Tambornino, Frank and Hohloch, Stephan}},
  issn         = {{1433-7851}},
  journal      = {{Angewandte Chemie International Edition}},
  keywords     = {{General Chemistry, Catalysis}},
  number       = {{17}},
  pages        = {{9534--9539}},
  publisher    = {{Wiley}},
  title        = {{{η            <sup>3</sup>            ‐Coordination and Functionalization of the 2‐Phosphaethynthiolate Anion at Lanthanum(III)**}}},
  doi          = {{10.1002/anie.202100559}},
  volume       = {{60}},
  year         = {{2021}},
}