Metal-catalyzed C-C bond cleavage in alkanes: Effects of methyl substitution on transition-state structures and stability

Journal of the American Chemical Society

Volumn 136, Issue 27, 2014, Pages 9664-9676

  Flaherty, David W ^a,b   Hibbitts, David D ^a   Iglesia, Enrique ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ANALYSIS; ATOMS; CHEMICAL ACTIVATION; ENTROPY; PARAFFINS; STATISTICAL MECHANICS;

ACTIVATION ENTHALPIES; ACTIVATION ENTROPIES; ANTIBONDING ORBITAL; C-C BOND CLEAVAGES; DEOXYGENATION REACTIONS; MECHANISTIC INTERPRETATIONS; SATURATED SURFACES; TRANSITION STATE STRUCTURE;

COVALENT BONDS;

ALKANE DERIVATIVE; CARBON; HYDROGEN; METAL; METHYL GROUP; NITROGEN; SULFUR;

ARTICLE; CARBON CARBON BOND CLEAVAGE; CATALYSIS; CHEMICAL BOND; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; CONTROLLED STUDY; DEHYDROGENATION; DENITROGENATION; DEOXYGENATION; DESORPTION; DESULFURIZATION; ENTHALPY; ENTROPY; HYDROGENOLYSIS; LOW TEMPERATURE; MOLECULAR STABILITY; PARTICLE SIZE; PRESSURE; SUBSTITUTION REACTION;

EID: 84904016010     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja5037429     Document Type: Article

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