Nuclear resonance vibrational spectroscopy and DFT study of peroxo-bridged biferric complexes: Structural insight into peroxo intermediates of binuclear non-heme iron enzymes

Kiyoung Park; Tomohiro Tsugawa; Hideki Furutachi; Yeonju Kwak; Lei V. Liu; Shaun D. Wong; Yoshitaka Yoda; Yasuhiro Kobayashi; Makina Saito; Masayuki Kurokuzu; Makoto Seto; Masatatsu Suzuki; Edward I. Solomon

doi:10.1002/anie.201208240

Nuclear resonance vibrational spectroscopy and DFT study of peroxo-bridged biferric complexes: Structural insight into peroxo intermediates of binuclear non-heme iron enzymes

Kiyoung Park, Tomohiro Tsugawa, Hideki Furutachi, Yeonju Kwak, Lei V. Liu, Shaun D. Wong, Yoshitaka Yoda, Yasuhiro Kobayashi, Makina Saito, Masayuki Kurokuzu, Makoto Seto, Masatatsu Suzuki, Edward I. Solomon

SCI - Physics

Research output: Contribution to journal › Article › peer-review

8 Citations (Scopus)

Abstract

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.

Original language	English
Pages (from-to)	1294-1298
Number of pages	5
Journal	Angewandte Chemie - International Edition
Volume	52
Issue number	4
DOIs	https://doi.org/10.1002/anie.201208240
Publication status	Published - 2013 Jan 21

Keywords

binuclear complexes
bioinorganic chemistry
iron
peroxo intermediate
structure elucidation

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10.1002/anie.201208240

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Park, K., Tsugawa, T., Furutachi, H., Kwak, Y., Liu, L. V., Wong, S. D., Yoda, Y., Kobayashi, Y., Saito, M., Kurokuzu, M., Seto, M., Suzuki, M., & Solomon, E. I. (2013). 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(4), 1294-1298. https://doi.org/10.1002/anie.201208240

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title = "Nuclear resonance vibrational spectroscopy and DFT study of peroxo-bridged biferric complexes: Structural insight into peroxo intermediates of binuclear non-heme iron enzymes",

abstract = "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.",

keywords = "binuclear complexes, bioinorganic chemistry, iron, peroxo intermediate, structure elucidation",

author = "Kiyoung Park and Tomohiro Tsugawa and Hideki Furutachi and Yeonju Kwak and Liu, {Lei V.} and Wong, {Shaun D.} and Yoshitaka Yoda and Yasuhiro Kobayashi and Makina Saito and Masayuki Kurokuzu and Makoto Seto and Masatatsu Suzuki and Solomon, {Edward I.}",

year = "2013",

month = jan,

day = "21",

doi = "10.1002/anie.201208240",

language = "English",

volume = "52",

pages = "1294--1298",

journal = "Angewandte Chemie - International Edition",

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Park, K, Tsugawa, T, Furutachi, H, Kwak, Y, Liu, LV, Wong, SD, Yoda, Y, Kobayashi, Y, Saito, M, Kurokuzu, M, Seto, M, Suzuki, M & Solomon, EI 2013, '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, vol. 52, no. 4, pp. 1294-1298. https://doi.org/10.1002/anie.201208240

Nuclear resonance vibrational spectroscopy and DFT study of peroxo-bridged biferric complexes: Structural insight into peroxo intermediates of binuclear non-heme iron enzymes. / Park, Kiyoung; Tsugawa, Tomohiro; Furutachi, Hideki et al.
In: Angewandte Chemie - International Edition, Vol. 52, No. 4, 21.01.2013, p. 1294-1298.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Nuclear resonance vibrational spectroscopy and DFT study of peroxo-bridged biferric complexes

T2 - Structural insight into peroxo intermediates of binuclear non-heme iron enzymes

AU - Park, Kiyoung

AU - Tsugawa, Tomohiro

AU - Furutachi, Hideki

AU - Kwak, Yeonju

AU - Liu, Lei V.

AU - Wong, Shaun D.

AU - Yoda, Yoshitaka

AU - Kobayashi, Yasuhiro

AU - Saito, Makina

AU - Kurokuzu, Masayuki

AU - Seto, Makoto

AU - Suzuki, Masatatsu

AU - Solomon, Edward I.

PY - 2013/1/21

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KW - binuclear complexes

KW - bioinorganic chemistry

KW - iron

KW - peroxo intermediate

KW - structure elucidation

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Nuclear resonance vibrational spectroscopy and DFT study of peroxo-bridged biferric complexes: Structural insight into peroxo intermediates of binuclear non-heme iron enzymes

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