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Dr. Kiyoung Park, Tomohiro Tsugawa, Prof. Dr. Hideki Furutachi, Yeonju Kwak, Lei V. Liu, Dr. Shaun D. Wong, Dr. Yoshitaka Yoda, Prof. Dr. Yasuhiro Kobayashi, Dr. Makina Saito, Masayuki Kurokuzu, Prof. Dr. Makoto Seto, Prof. Dr. Masatatsu Suzuki and Prof. Dr. Edward I. Solomon Nuclear Resonance Vibrational Spectroscopy and DFT study of Peroxo-Bridged Biferric Complexes: Structural Insight into Peroxo Intermediates of Binuclear Non-heme Iron Enzymes Angewandte Chemie International Edition 52

Article first published online: 6 DEC 2012 | DOI: 10.1002/anie.201208240

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Low-frequency vibrational modes of peroxo-bridged high-spin biferric complexes have been observed using nuclear resonance vibrational spectroscopy (NRVS; see picture, PVDOS=partial vibrational density-of-states) and assigned using DFT calculations. Correlations between the spectral features and the structure of peroxo-bridged cores form a basis for structural elucidation of enzyme–peroxo intermediates.

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