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. Author manuscript; available in PMC: 2020 Nov 18.
Published in final edited form as: Inorg Chem. 2019 Oct 28;58(22):15423–15432. doi: 10.1021/acs.inorgchem.9b02521

Table 1.

rR Stretching Frequencies (cm−1) of Heme−FeIII−Superoxide Complexes

complexa vO-O18O2) vFe-O18O2) ref
Mb WT 1103 578 (−29) 46
Cyt P450 WT 1139 (−66) 546 (−31) 47
Cyt P450 D251N 1136 (−66) 537 (−30) 48
(THF)(F8)FeIII−(O2•−) 1178 (−64) 568 (−24) 49
(6L)FeIII−(O2•−) 1176 (−64) 572 (−24) 33
(PIm)FeIII−(O2•−) 1180 (−56) 575 (−23) 50
(PImH)FeIII−(O2•−) (2) 1171 (−61) 575 (−24) this work
[(α4Fe(CO2Me)4)O2•−] 1004(−53) 581 (−22) 51
967 (−56)
[(FeIII(OPhP))−O2•−] 1147 (−59) 570 (−22) 44
a

Mb WT, wild-type myoglobin; Cyt P450 WT, wild-type cytochrome P-450 monooxygenase (P450); P450 Asp-251 mutated to Asn. See Figure S2 for diagrams of the other synthetic FeIII−(O2•−) complexes.