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. Author manuscript; available in PMC: 2017 Jan 1.
Published in final edited form as: J Porphyr Phthalocyanines. 2016 Jan-Apr;20(1-4):254–264. doi: 10.1142/S1088424616500206

Table 2.

Summary of Structural Parameters and EPR for Low-Spin Six-Coordinate Iron(III) Imidazole and Pyridine Derivatives.

Complex Fe–Npa Fe–Naxa,b ϕ c relative
orient.c,d 		porphyrin core
conformation		 EPR
Type		 Ref.
[Fe(TMP)(1,2-Me2HIm)2]ClO4 1.937 (12) 2.004 (5)
2.004 (5)		 44
44		 89 S4-ruffled NRe 23
[Fe(TPP)(2-MeHIm)2]ClO4 1.970 (4) 2.010 (4)
2.015 (4)		 33
32		 89 S4-ruffled gmax 24
[Fe(T2,6Cl2PP)(1-VinIm)2]ClO4f 1.972 (6) 1.968 (4)
1.976 (4)		 5
14, 20		 6
76		 S4-ruffled rhombic
gmax 		4
[Fe(TPP)(1-MeIm)2]ClO4 1.982 (11) 1.970 (3)
1.978 (3)		 32
22		 10 S4-ruffled rhombic 25
[Fe(TMP)(1-MeIm)2]ClO4h 1.987(1)
1.988(20)		 1.965 (3)
1.975 (3)		 42
23		 0g 0g planar rhombic 6
[Fe(TPP)(HIm)2]Cl 1.989 (8) 1.957 (5)
1.991 (5)		 39
18		 57 S4-ruffled NRe 26
[Fe(Proto IX)(1-MeIm)2] 1.990 (16) 1.966 (5)
1.988 (5)		 16
3		 13 S4-ruffled NRe 27
[Fe(TPP)(tMU)2]SbF6 1.992 (5) 1.983 (4) 22 0g planar rhombic 8
[Fe(TPP)(cMU)2]SbF6h 1.996 (10) 1.967 (7)
1.979 (7)		 29
15		 0g
0g 		planar
planar		 rhombic 8
[Fe(TPP)(HIm)2]Cl.H2Oh 1.993 (7) 1.964 (3)
1.977 (3)		 41
6		 0g
0g 		planar rhombic 28
[Fe(TPP)(CuIm)2]+ 2.00 (3) 1.98 (1) 7 9 S4-ruffled NRe 29
[Fe(TPP)(4-CNPy)2]ClO4 1.952 (7) 2.008 (4)
1.997 (4)		 35
36		 89 S4-ruffled axial 9
[Fe(TMP)(4-CNPy)2]ClO4 1.961 (6) 2.001 (5)
2.021 (6)		 44
43		 90 S4-ruffled axial 10
[Fe(TMP)(3-EtPy)2]ClO4 1.964 (4) 1.989 (4)
2.002 (4)		 44
44		 90 S4-ruffled gmax 10
[Fe(TMP)(3-ClPy)2]ClO4 1.968 (7) 2.006 (7)
2.018 (7)		 42
29		 77 S4-ruffled gmax 10
[Fe(TMP)(4-NMe2 Py)2]ClO4 1.964 (10) 1.978 (4)
1.989 (4)		 42
37		 79 S4-ruffled gmax 6
[Fe(OEP)(4-NMe2 Py)2]ClO4 2.002 (4) 1.995 (3) 36 0g planar rhombic 6
[Fe(TPP)(Py)2]ClO4 1.982 (6) 2.001 (5)
2.005 (5)		 38
34		 86 S4-ruffled gmax 30
tri-[Fe(OEP)(3-ClPy)2]ClO4 i 1.995 (6) 2.031 (2) 41 0g planar NRe 2
[Fe(TMP)(4-CNPy)(HIm)]ClO4 j 1.963 (10) 1.954 (4) (Im)
2.021 (4) (Py)		 42
38		 85 S4-ruffled rhombic this
work
[Fe(TMP)(4-CNPy)(HIm)]ClO4k 1.964 (8) 1.933 (8) (Im)
2.026 (9) (Py)		 44
41		 85 S4-ruffled NRe this
work
[Fe(OEP)(1-MeIm)2]+ 2.004 (2) 1.975 (2) 20 0g planar NR 31
paral-[Fe(TMP)(5-MeHIm)2]ClO4 1.983 (4) 1.978 (6)
1.961 (5)		 20
10		 30 S4-ruffled rhombic 11
paral-[Fe(TMP)(5-MeHIm)2]ClO4 1.981 (5) 1.980 (5)
1.985 (5)		 12
14		 26 planar rhombic 11
perp-[Fe(TMP)(5-MeHIm)2]ClO4 1.981 (7) 1.957 (6)
1.973 (6)		 30
40		 76 S4-ruffled gmax 11
[Fe(TPP)(5-MeHIm)2]Cl 2.008 (2) 1.975 (2) 3.1 0 planar rhombic 32
[Fe(TPP)(5-MeHIm)2]Cl 2.002 (2) 1.987 (3) 4.6 0 planar rhombic 32
paral-[Fe(OMTPP)(1-MeIm)2]Cl 1.990 (2) 1.975 (2)
2.016 (2)		 13
6		 19 S4-saddled rhombic 33
perp-[Fe(OMTPP)(1-MeIm)2]Cl 1.969 (7) 1.982 (10)
1.982 (10)		 29
61		 90 S4-saddled gmax 33
[Fe(OETPP)(1-MeIm)2]Cl 1.970 (7) 1.976 (3)
1.978 (3)		 10
17		 73 S4-saddled gmax 33
[Fe(OETPP)(2-MeHIm)2]+ 1.974 (9) 2.09 (2)
2.09 (2)		 14
14		 90 S4-saddled gmax 34
[Fe(OETPP)(4-Me2 Py) 2]Cl 1.951 (5) 1.984 (5)
2.015 (6)		 9
29		 70 S4-saddled gmax 34
[Fe(OEP)(2-MeHIm)2]Cl 1.974 (4) 1.998 (2)
2.012 (2)		 40.8
43.4		 87.6 S4-ruffled NR 35
[Fe(TiPrP)(BzHIm)2]+ 1.915 (5) 2.070 (5) 45
44		 90 S4-ruffled axial 36
[Fe(TiPrP)(HIm)2]+ 1.938 (3) 1.993 (3) 45
45		 ~90 S4-ruffled axial 36
[Fe(TpivPP)(NO2)(HIm)] 1.970 (4) 2.037 (10) (Im)
1.949 (10) (NO2)		 16
37		 69 S4-ruffled rhombic 37
[Fe(TPP)(CN)(Py)] 1.970 (14) 2.075 (3) (Py) 40 - S4-ruffled NR 38
[Fe(TPP)(NCS)(Py)] 1.988 (9) 2.082 (3) (Py)
1.942 (4) (NCS)		 39 – S4-ruffled NR 39
[Fe(TPP)(N3)(Py)] 1.989 (6) 2.089 (6) (Py)
1.925 (7) (N3)		 40 10 S4-ruffled NR 40
a

Values in Å.

b

All independent axial distances are listed.

c

Values in degrees.

d

Dihedral angle between pair of axial ligands.

e

Not Reported

f

Disordered structure with relative parallel and perpendicular imidazoles.

g

Value of 0° required by symmetry.

h

Two independent molecules.

i

Triclinic form at 100K.

j

Form A.

k

Form B