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TEMPO coordination and reactivity in group 6; pseudo-pentagonal planar (η 2 -TEMPO) 2 CrX (X = Cl, TEMPO).

Ann K KayserPeter T WolczanskiThomas R CundariMelissa M BollmeyerKyle M LancasterSamantha N MacMillan
Published in: Chemical communications (Cambridge, England) (2022)
The exposure of CrCl 2 (THF) 2 to 1 equiv. of TEMPO and 1 equiv. [TEMPO]Na afforded (η 2 -O,N-TEMPO) 2 CrCl (1, 67%); addition of [TEMPO]Na to 1 yielded (η 2 -O,N-TEMPO) 2 Cr(TEMPO) (2). Both 1 and 2 exhibit pseudo-pentagonal planar (PPP) geometry, instead of myriad alternatives. Calculations and spectral studies suggest the solid-state geometry persists in solution.
Keyphrases
  • solid state
  • magnetic resonance imaging
  • density functional theory