⁵⁷Fe nuclear resonance vibrational spectroscopic studies of tetranuclear iron clusters bearing terminal iron(iii)-oxido/hydroxido moieties.

ABSTRACT: ⁵⁷Fe nuclear resonance vibrational spectroscopy (NRVS) has been applied to study a series of tetranuclear iron ([Fe₄]) clusters based on a multidentate ligand platform (L^3-) anchored by a 1,3,5-triarylbenzene linker and pyrazolate or (tertbutylamino)pyrazolate ligand (PzNH ^t Bu^-). These clusters bear a terminal Fe(iii)-O/OH moiety at the apical position and three additional iron centers forming the basal positions. The three basal irons are connected with the apical iron center via a μ₄-oxido ligand. Detailed vibrational analysis via density functional theory calculations revealed that strong NRVS spectral features below 400 cm^-1 can be used as an oxidation state marker for the overall

SUBMITTER: Xiong J 

PROVIDER: S-EPMC11403573 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature