. Author manuscript; available in PMC: 2008 Aug 25.

Published in final edited form as: J Am Chem Soc. 2007 Feb 7;129(5):1402–1412. doi: 10.1021/ja067209i

Table 2.

Mössbauer parameters for the paramagnetic species detected in the as-prepared, cryoreduced and high-temperature annealed oxy-HO and oxy-Mb samples

Species	(Fe^III-O₂ H⁻)HO	(Fe^III-O₂₂⁻)Mb	(Fe^III-H₂O)HO^a	(Fe^III-H₂O)Mb	α-hydroxyhemin^a	Fe^III Mb product^a	(Fe^IV=O²⁻)Mb	deoxyMb^d
Spin	1/2	1/2	5/2	5/2	5/2	5/2	1	2
Δ/λ	6.9	9.4
V/λ	5.5	7.8
D (cm⁻¹)			10.5	8.5	9.5	10.5	24^c	−10
E/D			0.0025	0.0025	0.007^b	0.007	0^c	1/3
g_x	1.93	1.97	2	2	2	2	2	2
g_y	2.19	2.11	2	2	2	2	2	2
g_z	2.37	2.22	2	2	2	2	2	2
ΔE_Q (mm/s)	2.03	1.71	1.24	1.24	1.24	1.24	1.49	−2.24
η	2.2	2.4	0	0	0	0	0	0.9
δ(mm/s)	0.29	0.29	0.42	0.42	0.42	0.42	0.10	0.92
A_xx/g_nβ_n (T)	−6.5	−5.7	−19.6	−19.9	−20.0	−19.8	−19.4	−6.4
A_yy/g_nβ_n (T)	−34.1	−39.2	−19.6	−19.9	−20.0	−19.8	−19.4	−20.0
A_zz/g_nβ_n (T)	13.9	8.5	−19.6	−19.9	−20.0	−19.8	−2.5	−10.0

The values for ΔE_Q, η and δ are fixed at those reported for (Fe^III-H₂O)Mb.³,²⁰

from reference ⁵.

from refrence ⁴⁷.

from reference ⁴⁸.