. 2014 Aug 5;136(35):12385–12395. doi: 10.1021/ja505783z

Table 2. Redox Potentials (V vs Fc^0/+, Experimental and DFT-Calculated) and Associated Eletrochemical Data (Recorded at 0.1 Vs^–1) for FeNi, FePd, and FePt Complexes (1 mM) in NBu₄PF₆ Electrolyte (100 mM CH₂Cl₂ Solution).

	E_1/2 (Fe^IM^II/Fe^IIM^II) (\|i_pc/i_pa\|, \|ΔE_p\|)	E° (Fe^IM^II/Fe^IIM^II) DFT	E_1/2 (Fe^IM^I/Fe^IM^II) (\|i_pa/i_pc\|, \|ΔE_p\|)^a	E° (Fe^IM^I/Fe^IM^II) DFT
1	+0.34^b	+0.52	–0.59 (0.90, 0.059)	–0.62
[1′]BF₄	–0.14 (0.68, 0.076)^b	–0.14^d	–0.92 (1.00, 0.072)^c	–0.92^d
2	+0.26 (0.29, 0.115)	+0.39	–0.87 (0.98, 0.061)	–0.92
[2′]BF₄	–0.20 (0.67, 0.080)	–0.20^e	–1.14 (0.83, 0.122)	–1.14^e
3	+0.33 (0.49, 0.168)	ND^f	–0.93 (0.97, 0.105)^g	–0.91^g
[3′]BF₄	–0.19 (0.50, 0.076)	–0.24	–1.37 (0.66, 0.067)^g	–1.38

ΔE_p(Fc^0/+) = 0.064 V under these conditions.

Anodic potential for irreversible oxidation.

Data from ref (15).

Calculated and experimental values for [1′]BF₄ agree by construction and were used as references for the corresponding [1] waves.

Calculated and experimental values for [2′]BF₄ agree by construction and were used as references for the corresponding [2], [3], and [3′] waves.

This value was not determined as difficulties arising from local minima led to inconclusive results.

This wave is assigned to a Fe⁰Pt^II/Fe^IPt^II couple (vide infra).

Table 2. Redox Potentials (V vs Fc0/+, Experimental and DFT-Calculated) and Associated Eletrochemical Data (Recorded at 0.1 Vs–1) for FeNi, FePd, and FePt Complexes (1 mM) in NBu4PF6 Electrolyte (100 mM CH2Cl2 Solution).