. Author manuscript; available in PMC: 2009 Oct 6.

Published in final edited form as: Inorg Chem. 2008 Sep 11;47(19):8884–8895. doi: 10.1021/ic8009496

Table 3.

Hydrogen Bond Parameters Between Imidazole and 1,10-Phenanthroline.

Complex	N_Im–H distance^a	N⋯H distance^a	N_Im⋯N_phen distance ^a	N_Im–H⋯N_phen angle^b	dihedral angle^b,^c
[Fe(TPP)(2-MeHIm)]·-	0.86	2.14	2.980(2)	165.0	43.7
(1,10-phen) (form A)	0.86	2.48	3.032(2)	123.0
[Fe(TPP)(2-MeHIm)]·-	0.88	2.09	2.949(4)	164.1	40.8
(1,10-phen) (form B, Mol 1)	0.88	2.52	3.089(4)	122.7
[Fe(TPP)(2-MeHIm)]·-	0.88	2.20	3.006(4)	151.8	37.6
(1,10-phen) (form B, Mol 2)	0.88	2.48	3.059(4)	123.9
[Fe(OEP)(2-MeHIm)]·-	0.88	2.10	2.954(3)	163.7	46.5
(1,10-phen) (Mol 1)	0.88	2.57	3.104(3)	119.6
[Fe(OEP)(2-MeHIm)]·-	0.88	2.12	2.979(3)	165.2	42.4
(1,10-phen)(Mol 2)	0.88	2.57	3.113(3)	121.1

in Å.

Value in degrees.

Dihedral angle between the imidazole plane and the corresponding phenanthroline plane.