Vibrational dynamics of oxygenated heme proteins

Weiqiao Zeng, Alexander Barabanschikov, Ningyan Wang, Yi Lu, Jiyong Zhao, Wolfgang Sturhahn, E. Ercan Alp, J. Timothy Sage

Research output: Contribution to journalArticlepeer-review


Advanced spectroscopic techniques coupled with DFT calculations reveal the vibrational dynamics of the iron in stable dioxygen complexes with myoglobin and with a mutant engineered to model the catalytic site of heme-copper oxidases. The unprecedented level of detail will constrain computational modelling of reactions with oxygen.

Original languageEnglish (US)
Pages (from-to)6340-6342
Number of pages3
JournalChemical Communications
Issue number51
StatePublished - May 30 2012

ASJC Scopus subject areas

  • Catalysis
  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • General Chemistry
  • Surfaces, Coatings and Films
  • Metals and Alloys
  • Materials Chemistry


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