Literature DB >> 19294291

C-H oxidation by hydroxo manganese(v) porphyrins: a DFT study.

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

Abstract

A DFT study on toluene oxidation by Mn(V) porphyrins shows that both MnV(O) and, remarkably, MnV(OH) are potent H-atom abstractors.

Entities:  

Mesh：

Substances：

Year:  2009        PMID： 19294291     DOI： 10.1039/b821029b

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


  5 in total

1.  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 2.  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

3.  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

4.  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

5.  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
  5 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.