Comps 2012 Chirik Group

1. Structures Described in (but not first reported in) "Dinitrogen functionalization with bis(cyclopentadienyl) complexes of zirconium and hafnium"
   Dalton Transactions 2007, p. 16-25, Paper 40
   
   • Paper 40 Structure 1-N₂
   • Paper 40 Structure 2-N₂
   • Paper 40 Structure 2-N₂H₄
   • Paper 40 Structure 4-N₂
   • Paper 40 Structure 4-N₂H₄
   • Paper 40 Structure 6-N₂
   • Paper 40 Structure 7-N₂
   • Illustrating Syn and Anti Isomers for Generic-N₂ Complexes with two different types of Cp on each Zr
2. Structures Reported in "Dinitrogen Silylation and Cleavage with a Hafnocene Complex" J. Am. Chem. Soc. 133, 10406-10409, 2011, Paper 86
   
   • Paper 86; Starting-N₂ Dimer: [(η⁵-(C₅H₂-1,2,4-Me₃)₂Hf₂)]-(μ₂, η², η²-N₂)
   • Paper 86 Structure 2 with a μ-end-on, side-on silyldiazenido and a &mu-aldimide
   • Paper 86 Structure 3 with a μ-(unequally shared) bridging [NSi(H)CyNH]^3- fragment and one unequally shared hydride
   • Paper 86 Structure 4 with a bridging (μ-(NSiH₂Cy) and a bridging (μ-(NC(H)O) )
3. Structures Reported in "Studies into the Mechanism of CO-Induced N₂ Cleavage Promoted by Ansa-Hafnocene Complex and C-C Bond Formation from an Observed Intermediate" J. Am. Chem. Soc. 2012, Paper 90
   
   • Paper 90 Structure (S,S)-2C₁ with a bridging N₂C₂O₂^4-: Figure 1
   • Paper 90 Structure (S,S)-2C₁ with a bridging ^tBuNCO)_{2: Figure 2}
   • Paper 90 Structure (S,S)-4: Figure 9
   • Paper 90 Structure (S,S)-6 with two terminal NCO ligands and one bridging O^2- Figure 12
4. 3 D Rotatable MOs !!!!
• Attempting to show the HOMO-1 for [(Cp)₂Zr]₂μ₂N₂
• Attempting to show the HOMO for [(Cp)₂Zr]₂μ₂N₂
• Attempting to show the LUMO for [(Cp)₂Zr]₂μ₂N₂
• Attempting to show the HOMO for (Cp)2TiN2