Table 2.
Comparisons of Geometry between Closest Pairs of Rings and Magnetic Properties in [Fe(oxoOEC)(Cl)], [Fe(oxoOEC•)(Cl)]SbCl6, and [Fe(oxo-OEC•/2)(Cl)]2SbCl6 and Related Species.
| compound | Fe···Fea | Ct· · ·Cta,b | MPSa,c | LSa,d | μ effe | –2JFe–rf | –2JFe–Fef | –2Jr–rf | Df | ref |
|---|---|---|---|---|---|---|---|---|---|---|
| [Fe(oxoOEC)(Cl)] | 7.77 | 8.13 | 3.39 | 7.39 | 5.90 | NAg | –0.28 | NAg | 6 | 34 |
| [Fe(oxoOEC•)(Cl)]SbCl6 | 10.03 | 10.03 | 4.82 | 8.79 | 5.59 | –76 | –0.14 | –13 | 6 | 34 |
| [Fe(oxo-OEC•/2)(Cl)]2SbCl6 | 6.16 | 5.38 | 3.57 | 4.03 | 4.42 | –700 | –110 | NAg | 11.8 | this work |
| [Fe(TPrP•)(Cl)]SbCl6] | 4.51 | 3.65 | 3.35 | 1.44 | 5.02 | –225 | 0.5 | –36 | 7 | 53 |
| [Fe(TEtP•)(Cl)]SbCl6 | 5.26 | 4.58 | 3.25 | 3.22 | 5.07 | –193 | 0.4 | –24 | 11 | 53 |
| [Fe(OEP•)(Cl)]C104 | 4.11 | 3.25 | 3.24 | 0.2 | – | – | – | – | – | 51 |
| [Fe(OEP•)(Cl)]SbCl6h | – | – | – | – | 5.52 | –90 | 1 | –278 | 3 | 51 |
| [Fe(OEP•)(Br)]SbCl6h | – | – | – | – | 5.50 | –118 | 3 | –348 | 1 | 51 |
| [Fe(TPP•)(Cl)]SbCl6h | – | – | – | – | 4.80 | –100 | – | –16 | 3 | 55 |
| [Fe(TTP•)(Cl)]SbCl6 | 5.39 | 4.70 | 3.68 | 3.13 | – | – | – | – | – | 56 |
| [Fe(TEtP)(Cl)] | 5.56 | 5.04 | 3.34 | 3.79 | 5.88 | NAg | 0.45 | NAg | 7 | 57 |
| [Fe(TPrP)(Cl)] | 6.44 | 5.64 | 3.66 | 4.29 | 5.90 | NAg | 0.17 | NAg | 7 | 57 |
a
Values in Å.
b
Ct is the center of the 24-atom porphyrin ring.
c
MPS = mean plane separation.
d
LS = lateral shift of two porphyrin rings.
e
Values in μb at 300K.
f
Values in cm–1.
g
Not applicable.
h
Structure not measured.