Terahertz, infrared and Raman vibrational assignments of [FeFe]-hydrogenase model compounds

Christopher J. Stromberg, Casey L. Kohnhorst, Glenn A. Van Meter, Elizabeth A. Rakowski, Benjamin C. Caplins, Tiffany A. Gutowski, Jennifer L. Mehalko, Edwin J. Heilweil

Research output: Contribution to journalArticlepeer-review

8 Scopus citations


Using Raman, terahertz (THz), and mid-infrared (IR) spectroscopies, the vibrational spectra of two chromophore models of hydrogen-producing [FeFe]-hydrogenase, Fe2(μ-S2C3H 6)(CO)6 and Fe2(μ-S2C 2H4)(CO)6, have been assigned. The combination of absorption and scattering techniques, along with DFT calculations, allows for assignments to be made without traditional isotopic substitution methods.

Original languageEnglish (US)
Pages (from-to)219-227
Number of pages9
JournalVibrational Spectroscopy
Issue number2
StatePublished - Jul 18 2011
Externally publishedYes

Bibliographical note

Funding Information:
Funding for this work was provided by the National Institute of Standards and Technology (Cooperative Agreement Numbers 70NANB7H6135 and 70NANB9H9125) and Hood College's Summer Research Institute (funded in 2008 and 2009 by a grant from the Life Technologies Foundation). The purchase of the Raman spectrometer was funded through the National Science Foundation's Course, Curriculum, and Laboratory Improvement program (NSF-CCLI DUE-0632829).


  • Hydrogenase
  • Infrared spectrum
  • Raman spectrum
  • Terahertz spectrum
  • Vibrational assignments


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