895535-87-2Relevant academic research and scientific papers
A diamagnetic dititanium(III) paddlewheel complex with no direct metal-metal bond
Mendiratta, Arjun,Cummins, Christopher C.,Cotton, F. Albert,Ibragimov, Sergey A.,Murillo, Carlos A.,Villagran, Dino
, p. 4328 - 4330 (2006)
Reaction of Ti[N(But)Ar]3 (Ar = 3,5-C 6H3Me2 or Ar′ = C6H 5) with CO2 at -40°C produces diamagmetic Ti III paddlewheel complexes with long Ti-Ti separations (>3.4 A), thus excluding direct Ti-Ti bonding. 1H NMR spectroscopy shows that the compounds are diamagnetic in solution in the temperature range of -65 to +70°C. In the solid state, the diamagnetism was found to persist between 2 and 300 K. Calculations at the density functional theory level suggest that the diamagnetism results from antiferromagnetic coupling by superexchange through the ligand π system.
