. Author manuscript; available in PMC: 2024 Jul 11.

Published in final edited form as: J Am Chem Soc. 2024 Feb 1;146(6):3796–3804. doi: 10.1021/jacs.3c10694

Table 1.

Properties of Fe^IV(O) complexes evaluated in this work, generated by treating iron(II) precursors with 1–2 equiv s-ArIO.

Properties	0	1	2	3
λ_max, nm (ν_max, cm⁻¹) ⌈ε, M⁻¹ cm⁻¹⌉	720 (13900) [300]²⁵	775 (12900) [300]³³	850 (11900) [200]	650 [300]²⁰ (15400) 900 [75] (11100)
δ (ΔE_Q), mm/s	0.01 (0.92)²⁵	0.05 (0.70)	0.10 (0.66)	0.24 (-1.05) ²⁰
ν(Fe=O), cm⁻¹	830²⁵	–	–	838 (∆¹⁸O -35)²⁰
S at 4 K (based on Mossbauer)	1	1	1	2
S at 233 K (based on NMR analysis)	1	1	2	2
t_½ (T in K)	460 min (273)	40 min (273)	2 min (233)	~15 min ²⁰(233)
k₂', M⁻¹s⁻¹ (273 K, *233 K*) cumene cyclohexane ethylbenzene	0.026 ±0.001 0.00023 ±0.00002 0.01 ± 0.0005 *0.0014* *±0.0003*	0.10 ±0.005 0.0042 ±0.0004 0.043 ± 0.003 *0.005* *±0.0003*	*1.15* *±0.014* *0.011* *±0.001* *0.98* *±0.02*	*1.0* *0.031* *1.05*