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

scientific article published in February 2008

The rebound mechanism in catalytic C-H oxidation by MnO(tpp)Cl from DFT studies: electronic nature of the active species is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1039/B715939K
P698PubMed publication ID18478710
P5875ResearchGate publication ID5372248

P50authorOdile EisensteinQ23888363
David BalcellsQ45310232
Christophe RaynaudQ57605297
P2093author name stringRobert H Crabtree
P2860cites workMechanisms of reaction in cytochrome P450: Hydroxylation of camphor in P450cam.Q30357504
Synthesis, characterization, and reactivities of manganese(V)-oxo porphyrin complexesQ34042936
Mechanism of oxidation reactions catalyzed by cytochrome p450 enzymes.Q34346324
Polarized X-ray absorption spectroscopy of single-crystal Mn(V) complexes relevant to the oxygen-evolving complex of photosystem IIQ37686485
Predictions of geometries and multiplicities of the manganese-oxo intermediates in the Jacobsen epoxidationQ41737371
(Salen)Mn(III)-catalyzed epoxidation reaction as a multichannel process with different spin states. Electronic tuning of asymmetric catalysis: a theoretical studyQ43683449
What is the difference between the manganese porphyrin and corrole analogues of cytochrome P450's compound I?Q43837805
How Does Product Isotope Effect Prove the Operation of a Two-State “Rebound” Mechanism in C−H Hydroxylation by Cytochrome P450?Q44626312
Oxyl radical required for o-o bond formation in synthetic Mn-catalystQ44712444
Quantum mechanical/molecular mechanical investigation of the mechanism of C-H hydroxylation of camphor by cytochrome P450cam: theory supports a two-state rebound mechanismQ44810744
Radical autoxidation and autogenous O2 evolution in manganese-porphyrin catalyzed alkane oxidations with chloriteQ45017691
Mechanism and structure-reactivity relationships for aromatic hydroxylation by cytochrome P450.Q45103648
Aromatic hydroxylation by cytochrome P450: model calculations of mechanism and substituent effects.Q52411029
Cytochrome P450 hydroxylation of hydrocarbons: variation in the rate of oxygen rebound using cyclopropyl radical clocks including two new ultrafast probes.Q54042668
What is the Active Species of Cytochrome P450 during Camphor Hydroxylation? QM/MM Studies of Different Electronic States of Compound I and of Reduced and Oxidized Iron−Oxo IntermediatesQ57397924
P433issue6
P407language of work or nameEnglishQ1860
P304page(s)744-746
P577publication date2008-02-01
P1433published inChemical CommunicationsQ426303
P1476titleThe rebound mechanism in catalytic C-H oxidation by MnO(tpp)Cl from DFT studies: electronic nature of the active species

Reverse relations

cites work (P2860)
Q55004050A competing, dual mechanism for catalytic direct benzene hydroxylation from combined experimental-DFT studies.
Q30576856Activation of a water molecule using a mononuclear Mn complex: from Mn-aquo, to Mn-hydroxo, to Mn-oxyl via charge compensation
Q37699790Beyond ferryl-mediated hydroxylation: 40 years of the rebound mechanism and C-H activation
Q46291020Biomimetic Reactivity of Oxygen-Derived Manganese and Iron Porphyrinoid Complexes
Q38562795Does compound I vary significantly between isoforms of cytochrome P450?
Q82901219Exchange-enhanced reactivity in bond activation by metal-oxo enzymes and synthetic reagents
Q37094582Gas-phase reactions of cationic vanadium-phosphorus oxide clusters with C2H(x) (x=4, 6): a DFT-based analysis of reactivity patterns.
Q43265803Hydrogen-atom abstraction reactions by manganese(V)- and manganese(IV)-oxo porphyrin complexes in aqueous solution
Q33992789Manganese catalysts for C-H activation: an experimental/theoretical study identifies the stereoelectronic factor that controls the switch between hydroxylation and desaturation pathways
Q42712560Molecular recognition in Mn-catalyzed C-H oxidation. Reaction mechanism and origin of selectivity from a DFT perspective
Q47245449Oxygen Activation and Radical Transformations in Heme Proteins and Metalloporphyrins
Q37851029Selective functionalisation of saturated C-H bonds with metalloporphyrin catalysts

Search more.