Table 2.

Mössbauer parameters and assignment of the six components featured in the deconvoluted Mössbauer spectrum of RHT4 (Figure 7).

		RHT4					Calculated Ocat6 b	Ocat5c
Component		δiso / mm●s−1	ΔEQ / mn●s−1	H0/G	Abs / %	0.012 at% a	0.042 at%	0.058 at%	Assignment*	References
Doublet Dl		0.42 ± 0.02	1.26 ± 0.05	-	32.7 ± 2.2	0.0039 ± 0.0003	0 . 0 0 3 0 ± 0.0009	0 . 0 0 4 1 ± 0.0013	FenN4/C low spin	36, 37, 41–43, 46
Doublet D2		0.50 ± 0.03	2.37 ± 0.07	-	20.3 ± 2.7	0.0024 ± 0.0003	0 . 0 0 3 3 ± 0.0005	0 . 0 0 4 6 ± 0.0007	FenN2+2/C intermediate spin	36, 37, 46
Doublet D3		1.07 ± 0.08	2.19 ± 0.08	-	11.1 ± 2.5	0.0013 ± 0.0003	0 . 0 0 3 0 ± 0.0003	0 . 0 0 4 1 ± 0.0004	FenN2+2…Nprot/C high spin**	49–52 this work
Doublet D4		0.43	0.30	-	3.6 ± 2.4	0.0009 ± 0.0006	0 . 0 1 2 6 ± 0.0016	0 . 0 1 7 4 ± 0.0022	FexN with x < 2.1	53
Doublet D5		0.29	0.31		4.2 ± 2.3
Singlet		-	-	-	-	-	0 . 0 2 0 1 ± 0.0011	0 . 0 2 7 8 ± 0.0015	disordered FexNy	this work
Sextet 1		0.41	0.17	494 ± 4	20.3 ± 5.0	0 . 0 0 3 4 ± 0.0011	-	-	Iron oxide	64
Sextet 2		0.27	0.09	463 ± 10	7.9 ± 4.0

^*See footnotes of Table 1

^**See footnotes of Table 1

^a: The iron content of Ocat6 after RHT4 is 0.012 at%. The iron content of each component in this column is obtained using Eq 7: Fe_x = Abs_x. Fe_catalyst/ 100, where Abs_x is listed in column 4 for each component and Fe_catalyst is 0.012 at%.

^b: The total iron content in Ocat6 is 0.042 at% (0.20 wt% Fe). The iron content for each component in Ocat6 is obtained by multiplying the iron content of the same component in Ocat5 by (0.042 / 0.058), which is the ratio of the total iron content in at% for Ocat6 / Ocat5).

^c: Experimental iron content in at% in Ocat5, from Figure 5b. The total iron content of Ocat5 is 0.58 at% Fe (0.27 wt% Fe).