Literature DB >> 18478710

The rebound mechanism in catalytic C-H oxidation by MnO(tpp)Cl from DFT studies: electronic nature of the active species.

David Balcells1, Christophe Raynaud, Robert H Crabtree, Odile Eisenstein.   

Abstract

DFT studies show that the rebound mechanism for MnO(tpp)(Cl)-catalyzed C-H hydroxylation is favored for spin states with oxyl character.

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Year:  2008        PMID： 18478710     DOI： 10.1039/b715939k

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  10 in total

1.  Exchange-enhanced reactivity in bond activation by metal-oxo enzymes and synthetic reagents.

Authors:  Sason Shaik; Hui Chen; Deepa Janardanan
Journal:  Nat Chem       Date:  2010-12-15       Impact factor: 24.427

2.  Manganese catalysts for C-H activation: an experimental/theoretical study identifies the stereoelectronic factor that controls the switch between hydroxylation and desaturation pathways.

Authors:  Jonathan F Hull; David Balcells; Effiette L O Sauer; Christophe Raynaud; Gary W Brudvig; Robert H Crabtree; Odile Eisenstein
Journal:  J Am Chem Soc       Date:  2010-06-09       Impact factor: 15.419

Review 3.  Oxygen Activation and Radical Transformations in Heme Proteins and Metalloporphyrins.

Authors:  Xiongyi Huang; John T Groves
Journal:  Chem Rev       Date:  2017-12-29       Impact factor: 60.622

4.  Activation of a water molecule using a mononuclear Mn complex: from Mn-aquo, to Mn-hydroxo, to Mn-oxyl via charge compensation.

Authors:  Benedikt Lassalle-Kaiser; Christelle Hureau; Dimitrios A Pantazis; Yulia Pushkar; Régis Guillot; Vittal K Yachandra; Junko Yano; Frank Neese; Elodie Anxolabéhère-Mallart
Journal:  Energy Environ Sci       Date:  2010-07-01       Impact factor: 38.532

5.  Molecular recognition in Mn-catalyzed C-H oxidation. Reaction mechanism and origin of selectivity from a DFT perspective.

Authors:  David Balcells; Pamela Moles; James D Blakemore; Christophe Raynaud; Gary W Brudvig; Robert H Crabtree; Odile Eisenstein
Journal:  Dalton Trans       Date:  2009-06-17       Impact factor: 4.390

6.  Biomimetic Reactivity of Oxygen-Derived Manganese and Iron Porphyrinoid Complexes.

Authors:  Regina A Baglia; Jan Paulo T Zaragoza; David P Goldberg
Journal:  Chem Rev       Date:  2017-10-09       Impact factor: 60.622

7.  Does compound I vary significantly between isoforms of cytochrome P450?

Authors:  Richard Lonsdale; Julianna Oláh; Adrian J Mulholland; Jeremy N Harvey
Journal:  J Am Chem Soc       Date:  2011-09-12       Impact factor: 15.419

Review 8.  Beyond ferryl-mediated hydroxylation: 40 years of the rebound mechanism and C-H activation.

Authors:  Xiongyi Huang; John T Groves
Journal:  J Biol Inorg Chem       Date:  2016-12-01       Impact factor: 3.358

9.  Gas-phase reactions of cationic vanadium-phosphorus oxide clusters with C2H(x) (x=4, 6): a DFT-based analysis of reactivity patterns.

Authors:  Nicolas Dietl; Xinhao Zhang; Christian van der Linde; Martin K Beyer; Maria Schlangen; Helmut Schwarz
Journal:  Chemistry       Date:  2013-01-15       Impact factor: 5.236

10.  A competing, dual mechanism for catalytic direct benzene hydroxylation from combined experimental-DFT studies.

Authors:  Laia Vilella; Ana Conde; David Balcells; M Mar Díaz-Requejo; Agustí Lledós; Pedro J Pérez
Journal:  Chem Sci       Date:  2017-10-05       Impact factor: 9.825
  10 in total

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