Skip to main content
. 2014 Aug 5;136(35):12385–12395. doi: 10.1021/ja505783z

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