. Author manuscript; available in PMC: 2019 May 6.

Published in final edited form as: Inorg Chem. 2008 Apr 24;47(10):3993–4004. doi: 10.1021/ic702414m

Table 1.

Electronic transition energies (ν, in cm⁻¹) and oscillator strengths (f_exp) obtained from Gaussian deconvolutions of the Abs, CD, and MCD spectra of Q69E N₃-Fe³⁺SOD, N₃-Fe³⁺SOD, N₃-Fe³⁺(Mn)SOD, and Y34F N₃-Fe³⁺(Mn)SOD

	Q69E N₃-Fe³⁺SOD		N₃-Fe³⁺SOD		N₃-Fe³⁺(Mn)SOD		Y34F N₃-Fe³⁺(Mn)SOD
band^a	ν	f_exp × 10³	ν	f_exp × 10³	ν	f_exp × 10³	ν	f_exp × 10³
1	17 700	6.02	21 800	8.28	24 600	6.77	23 640	8.28
2	20 000	6.77	22 600	9.78	25 680	5.27	25 150	3.99
3	22 700	9.78	24 900	12.0	27 400	12.0	27 370	9.78
4	25 950	15.8	27 622	10.5	30 350	20.3	30 500	20.0
5	29 500	29.4	30 642	31.6

A full width at half maximum of 2914 cm⁻¹ was used for all bands