Influence of the second coordination sphere on O₂ activation by a nonheme iron(II) thiolate complex.

ABSTRACT: The synthesis and characterization of a new ligand, 1-(bis(pyridin-2-ylmethyl) amino)-2-methylpropane-2-thiolate (BPA^Me2S^-) and its nonheme iron complex, Fe^II(BPA^Me2S)Br (1), is reported. Reaction of 1 with O₂ at -20 °C generates a high-spin iron(III)-hydroxide complex, [Fe^III(OH)(BPA^Me2S)(Br)] (2), that was characterized by UV-vis, ⁵⁷Fe Mössbauer, and electron paramagnetic resonance (EPR) spectroscopies, and electrospray ionization mass spectrometry (ESI-MS). Density functional theory (DFT) calculations were employed to support the spectroscopic assignments. In a previous report (J. Am. Chem. Soc.2024, 146, 7915-7921), the related iron(II) complex, Fe^II(BNPA^Me2S)Br (BNPA^Me2</

SUBMITTER: Yadav S 

PROVIDER: S-EPMC12181817 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature