. Author manuscript; available in PMC: 2011 Sep 6.

Published in final edited form as: Inorg Chem. 2010 Sep 6;49(17):8078–8085. doi: 10.1021/ic101099z

Table 3.

Structural, Mossbauer, and Magnetic Measurement data for π-Cation Radical Porphinatoiron(III) Complexes

complex	Fe⋯Fe^a	Ct⋯Ct^a	MPS^a, ^b	LS^a, ^c	−2J_Fe–r^d	−2J_r–r^d	−2J_Fe–Fe^d	−2J_Fe–r′^d	D^d	ΔE_q^e	δ^e	ref
[Fe(TPrP^.)(Cl)]SbCl₆	4.51	3.65	3.35	1.44	−225	−36	0.5	−0.5	7	0.44	0.41	this work
[Fe(TEtP^.)(Cl)]SbCl₆	5.26	4.58	3.25	3.22	−193	−24	0.4	−0.4	11	0.75	0.42	this work
[Fe(OEP^.)(Cl)]C10₄	4.11	3.25	3.24	0.2						0.59	0.41	9
[Fe(OEP^.)(Cl)]SbCl₆ ^f					−90	−278	1		3	0.71	0.42	9
[Fe(OEP^.)(Br)]SbCl₆ ^f					−118	−348	3		1	0.77	0.41	9
[Fe(oxoOEC^.)(Cl)]SbCl₆	10.03	10.03	4.82	8.70	−76	−13	−0.14		6	0.70	0.50	10
[Fe(TPP^.)(Cl)]SbCl₆					−100	−16	–^g		3	0.56	0.39	37
[Fe(TTP^.)(Cl)]SbCl₆	5.39	4.70	3.68	3.13								3
[Fe(TEtP)(Cl)]	5.56	5.04	3.34	3.79			0.45		7			11
[Fe(TPrP)(Cl)]	6.44	5.64	3.66	4.29			0.17		7			11

Values in Å.

MPS = mean plane separation.

LS = lateral shift of two porphyrin rings.

Values in cm⁻¹

Values in mm/s.

Model B.(Ref. ⁹)

Distinction between radical–radical and Fe–Fe coupling is indeterminate.