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@ARTICLE{Caserta:639802,
      author       = {Caserta, Giorgio and Laun, Konstantin and Oudsen,
                      Jean-Pierre and Sergueev, Ilya and Zebger, Ingo and Lenz,
                      Oliver},
      title        = {{NRVS} {S}pectroscopy {R}esolves {D}istinct {B}ridging
                      {H}ydride {I}ntermediates in [{N}i{F}e]-{H}ydrogenase},
      journal      = {Journal of the American Chemical Society},
      volume       = {147},
      number       = {45},
      issn         = {0002-7863},
      address      = {Washington, DC},
      publisher    = {ACS Publications},
      reportid     = {PUBDB-2025-04676},
      pages        = {41216 - 41220},
      year         = {2025},
      note         = {Open Access},
      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.},
      cin          = {DOOR ; HAS-User / FS-PET-S},
      ddc          = {540},
      cid          = {I:(DE-H253)HAS-User-20120731 /
                      I:(DE-H253)FS-PET-S-20190712},
      pnm          = {632 - Materials – Quantum, Complex and Functional
                      Materials (POF4-632) / 6G3 - PETRA III (DESY) (POF4-6G3) /
                      FS-Proposal: I-20200452 (I-20200452) / FS-Proposal:
                      I-20210325 (I-20210325) / DFG project G:(GEPRIS)390540038 -
                      EXC 2008: Unifying Systems in Catalysis "UniSysCat"
                      (390540038)},
      pid          = {G:(DE-HGF)POF4-632 / G:(DE-HGF)POF4-6G3 /
                      G:(DE-H253)I-20200452 / G:(DE-H253)I-20210325 /
                      G:(GEPRIS)390540038},
      experiment   = {EXP:(DE-H253)P-P01-20150101},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1021/jacs.5c15408},
      url          = {https://bib-pubdb1.desy.de/record/639802},
}