Journal Article

PUBDB-2025-04676

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png NRVS Spectroscopy Resolves Distinct Bridging Hydride Intermediates in [NiFe]-Hydrogenase

Caserta, G. (Corresponding author) ; Laun, K. ; Oudsen, J.-P. ; Sergueev, I.XFEL.EU*DESY* ; Zebger, I. ; Lenz, O.

2025
ACS Publications Washington, DC

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Please use a persistent id in citations: doi:10.1021/jacs.5c15408  doi:10.3204/PUBDB-2025-04676

Abstract: The active-site iron of an H2-sensing [NiFe]-hydrogenase was selectively labeled with 57Fe, allowing the probing of all catalytic intermediates using synchrotron-based nuclear resonance vibrational spectroscopy. Diagnostic metal–hydride vibrations were detected for both the Nia-C and Nia-SR intermediates, with their assignments being confirmed through H/D isotope substitution and in situ hydride photolysis experiments. Interestingly, these Fe–hydride bands are separated by a large energy gap, reflecting distinct bonding interactions at the metal–hydride site. Despite these differences, vibrational analyses across all catalytically active species reveal a conserved structural rigidity of the [NiFe] center, which appears crucial for sustaining efficient and rapid electron transfer in [NiFe]-hydrogenases.

Note: Open Access

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Contributing Institute(s):

1. DOOR-User (DOOR ; HAS-User)
2. Experimentebetreuung PETRA III (FS-PET-S)

Research Program(s):

1. 632 - Materials – Quantum, Complex and Functional Materials (POF4-632) (POF4-632)
2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
3. FS-Proposal: I-20200452 (I-20200452) (I-20200452)
4. FS-Proposal: I-20210325 (I-20210325) (I-20210325)
5. DFG project G:(GEPRIS)390540038 - EXC 2008: Unifying Systems in Catalysis "UniSysCat" (390540038) (390540038)

Experiment(s):

1. PETRA Beamline P01 (PETRA III)

Appears in the scientific report 2025

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