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. 2023 Jun 22;13(13):8987–8996. doi: 10.1021/acscatal.3c02008

Table 1. Mössbauer Parameters of In Situ-Formed Iron Species Compared to Previously Reported Iron–Bisphosphine Intermediatesa.

species geometry isomer shift δ (mm/s) quadrupole splitting |ΔEQ| (mm/s)
Fe(BenzP*)Br2 this work dist. Td 0.77 3.00
Fe(SciOPP)Br228 dist. Td 0.94 2.80
Fe(dcype)Br230 dist. Td 0.72 3.21
Fe(BenzP*)BrPh this work dist. Td 0.52 2.45
Fe(SciOPP)BrPh28 dist. Td 0.51 2.35
Fe(SciOPP)BrMes29 dist. Td 0.52 1.97
Fe(dcype)Br(3-MeOC6H4)30 dist. Td 0.51 2.49
Fe(BenzP*)Ph2 this work dist. Td 0.33 1.65
Fe(SciOPP)Ph228 dist. Td 0.32 1.50
Fe(SciOPP)(Mes)229 sq. planar 0.28 3.67
Fe(dcype)(3-MeOC6H4)230 sq. planar 0.23 4.35
Fe(BenzP*)(THF)Ph2 this work   0.35 2.85
Fe(SciOPP)(THF)Ph228   0.33 3.13
a

dcype = 1,2-bis(dicyclohexylphosphino)ethane. SciOPP = 1,2-(bis[3,5-di(tert-butyl)phenyl]phosphino)benzene.