Literature DB >> 15612713

Structural insights into nonheme alkylperoxoiron(III) and oxoiron(IV) intermediates by X-ray absorption spectroscopy.

Jan-Uwe Rohde1, Stéphane Torelli, Xiaopeng Shan, Mi Hee Lim, Eric J Klinker, József Kaizer, Kui Chen, Wonwoo Nam, Lawrence Que.   

Abstract

Transient mononuclear low-spin alkylperoxoiron(III) and oxoiron(IV) complexes that are relevant to the activation of dioxygen by nonheme iron enzymes have been generated from synthetic iron(II) complexes of neutral tetradentate (TPA) and pentadentate (N4Py, Bn-TPEN) ligands and structurally characterized by means of Fe K-edge X-ray absorption spectroscopy (XAS). Notable features obtained from fits of the EXAFS region are Fe-O bond lengths of 1.78 A for the alkylperoxoiron(III) intermediates and 1.65-1.68 A for the oxoiron(IV) intermediates, reflecting different strengths in the Fe-O pi interactions. These differences are also observed in the intensities of the 1s-to-3d transitions in the XANES region, which increase from 4 units for the nearly octahedral iron(II) precursor to 9-15 units for the alkylperoxoiron(III) intermediates to 25-29 units for the oxoiron(IV) species.

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Year:  2004        PMID： 15612713     DOI： 10.1021/ja047667w

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN： 0002-7863            Impact factor:   15.419


  40 in total

1.  Prediction of high-valent iron K-edge absorption spectra by time-dependent density functional theory.

Authors:  P Chandrasekaran; S Chantal E Stieber; Terrence J Collins; Lawrence Que; Frank Neese; Serena DeBeer
Journal:  Dalton Trans       Date:  2011-09-29       Impact factor: 4.390

2.  Sulfur versus iron oxidation in an iron-thiolate model complex.

Authors:  Aidan R McDonald; Michael R Bukowski; Erik R Farquhar; Timothy A Jackson; Kevin D Koehntop; Mi Sook Seo; Raymond F De Hont; Audria Stubna; Jason A Halfen; Eckard Münck; Wonwoo Nam; Lawrence Que
Journal:  J Am Chem Soc       Date:  2010-11-11       Impact factor: 15.419

3.  Intermediates in dioxygen activation by methane monooxygenase: a QM/MM study.

Authors:  David Rinaldo; Dean M Philipp; Stephen J Lippard; Richard A Friesner
Journal:  J Am Chem Soc       Date:  2007-02-28       Impact factor: 15.419

4.  A synthetic precedent for the [FeIV2(mu-O)2] diamond core proposed for methane monooxygenase intermediate Q.

Authors:  Genqiang Xue; Dong Wang; Raymond De Hont; Adam T Fiedler; Xiaopeng Shan; Eckard Münck; Lawrence Que
Journal:  Proc Natl Acad Sci U S A       Date:  2007-12-19       Impact factor: 11.205

5.  Oxoiron(IV) complexes of the tris(2-pyridylmethyl)amine ligand family: effect of pyridine alpha-substituents.

Authors:  Tapan K Paine; Miquel Costas; József Kaizer; Lawrence Que
Journal:  J Biol Inorg Chem       Date:  2006-03-11       Impact factor: 3.358

6.  A combined NRVS and DFT study of Fe(IV)=O model complexes: a diagnostic method for the elucidation of non-heme iron enzyme intermediates.

Authors:  Caleb B Bell; Shaun D Wong; Yuming Xiao; Eric J Klinker; Adam L Tenderholt; Matt C Smith; Jan-Uwe Rohde; Lawrence Que; Stephen P Cramer; Edward I Solomon
Journal:  Angew Chem Int Ed Engl       Date:  2008       Impact factor: 15.336

7.  Oxoiron(IV) complexes as synthons for the assembly of heterobimetallic centers such as the Fe/Mn active site of Class Ic ribonucleotide reductases.

Authors:  Ang Zhou; Patrick M Crossland; Apparao Draksharapu; Andrew J Jasniewski; Scott T Kleespies; Lawrence Que
Journal:  J Biol Inorg Chem       Date:  2017-12-07       Impact factor: 3.358

8.  Theoretical study of cyclohexane hydroxylation by three possible isomers of [FeIV(O)(R-TPEN)] 2+: does the pentadentate ligand wrapping around the metal center differently lead to the different stability and reactivity?

Authors:  Yi Wang; Yong Wang; Keli Han
Journal:  J Biol Inorg Chem       Date:  2009-01-27       Impact factor: 3.358

9.  Nonheme Oxoiron(IV) Complexes of Pentadentate N5 Ligands: Spectroscopy, Electrochemistry, and Oxidative Reactivity.

Authors:  Dong Wang; Kallol Ray; Michael J Collins; Erik R Farquhar; Jonathan R Frisch; Laura Gómez; Timothy A Jackson; Marion Kerscher; Arkadius Waleska; Peter Comba; Miquel Costas; Lawrence Que
Journal:  Chem Sci       Date:  2013-01       Impact factor: 9.825

10.  Spectroscopic and computational studies of (mu-oxo)(mu-1,2-peroxo)diiron(III) complexes of relevance to nonheme diiron oxygenase intermediates.

Authors:  Adam T Fiedler; Xiaopeng Shan; Mark P Mehn; József Kaizer; Stéphane Torelli; Jonathan R Frisch; Masahito Kodera; Lawrence Que
Journal:  J Phys Chem A       Date:  2008-12-18       Impact factor: 2.781
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