. Author manuscript; available in PMC: 2008 Oct 28.

Published in final edited form as: J Am Chem Soc. 2008 Aug 20;130(37):12394–12407. doi: 10.1021/ja8022576

Table 2.

Fe K-edge XAS Near-edge Properties of [Fe^IV(O)(TMC)(X)]^2+/+ (1-X) Complexes.

	E_o (eV)	E_pre-edge (eV)	area	weighted area^a	%Fe^IV^b	Contaminants^c
1-NCMe	7124.5	7114.1	26.2	32.8	80	20% Fe^II
1-O₂CCF₃	7124.0	7114.2	30.9	38.6	80	20% Fe^III
1-NCO	7125.3	7114.7	25.9	30.5	85	11% Fe^II
1-NCS	7125.4	7114.3	23.9	29.1	82	18% Fe^III
1-N₃	7125.3	7114.4	24.3	29.6	82	18% Fe^III
1′-SR^d	7125.1	7114.3	18.0	20.0	90	8% Fe^II
1-CN	7124.8	7114.1	21.0	26.2	80	10% Fe^II + 12% Fe^III
1-OH	7125.4	7115.1	19.5	21.7	90	10% Fe^II

Area weighted by percentage Fe^IV in the samples. The presence of contaminant s introduces a maximum error in pre-edge areas of ±2 units.

Percentage Fe^IV determined by Mössbauer or absorption (italics) spectroscopy.

All contaminants are high-spin Fe^II or Fe^III as determined by Mössbauer spectroscopy.

From ref. 30.