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

Journal of the American Chemical Society

Volumn 132, Issue 22, 2010, Pages 7605-7616

  Hull, Jonathan F ^a   Balcells, David ^b   Sauer, Effiette L O ^a   Raynaud, Christophe ^b   Brudvig, Gary W ^a   Crabtree, Robert H ^a   Eisenstein, Odile ^b  

^a YALE UNIVERSITY   (United States)

^b UNIVERSITÉ DE MONTPELLIER   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SPECIES; C-H ACTIVATION; C-H BOND; CH-BOND ACTIVATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; DESATURASE; DESATURATION; DIHYDROPHENANTHRENE; ENZYME ACTIVE SITES; H-ABSTRACTION; HYDROXYLASES; OH GROUP; ORGANIC RADICALS; PRODUCT MIXTURE; ROTATIONAL ORIENTATION; SYNTHETIC MANGANESE CATALYSTS; TETRAPHENYL PORPHYRINS;

ABSTRACTING; ACTIVATION ANALYSIS; ANTHRACENE; CATALYSTS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; HYDROXYLATION; MANGANESE COMPOUNDS; OXIDATION; OXYGEN; REACTION INTERMEDIATES;

MANGANESE;

CARBON; FATTY ACID; HYDROGEN; MANGANESE; OXYGEN; OXYGENASE; PHENANTHRENE DERIVATIVE; RADICAL; TETRAPHENYLPORPHYRIN DERIVATIVE;

ARTICLE; CALCULATION; CATALYST; CHEMICAL REACTION; CHEMISTRY; DENSITY FUNCTIONAL THEORY; ENERGY; ENZYME ACTIVE SITE; EPOXIDATION; EXPERIMENTAL STUDY; FATTY ACID DESATURATION; HYDROXYLATION; OXIDATION; SPECIES; THEORETICAL STUDY;

CATALYSIS; HYDROXYLATION; MANGANESE; MODELS, MOLECULAR; OXIDATION-REDUCTION; THERMODYNAMICS;

EID: 77953109653     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja908744w     Document Type: Article

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