Table 3. Calculated Spin Densities on Metal Centers in Mixed-Valence Fe(I)M(II) Species.
complex | ρ(M) | ρ(Fe) |
---|---|---|
[(OC)3Fe(pdt)Ni(dppe)]+ ([1]+) | 0.04 | 1.03 |
[Cy3P(OC)2Fe(pdt)Ni(dppe)]+ ([1′]+) | 0.01 | 1.14 |
[(OC)3Fe(pdt)Pd(dppe)]+ ([2]+) | 0.03 | 1.04 |
[Cy3P(OC)3Fe(pdt)Pd(dppe)]+ ([2′]+) | 0.03 | 1.06 |
[(OC)3Fe(pdt)Pt(dppe)]+ ([3]+) | 0.03 | 1.03 |
[Cy3P(OC)3Fe(pdt)Pt(dppe)]+ ([3′]+) | 0.04 | 1.05 |