Unraveling the reaction mechanism for nickel-catalyzed oxidative dehydrogenation of ethane by DFT: The C-H bond activation step and Its following pathways

Journal of Physical Chemistry C

Volumn 116, Issue 5, 2012, Pages 3503-3516

  Lin, Xufeng ^a   Xi, Yanyan ^a   Sun, Jian ^b  

^a CHINA UNIVERSITY OF PETROLEUM   (China)

^b UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

C-C BONDS; CH-BOND ACTIVATION; CONCERTED MECHANISM; ETHOXIDES; H-ABSTRACTION; OXIDATIVE DEHYDROGENATION OF ETHANES; OXIDATIVE DEHYDROGENATIONS; REACTION CHANNELS; REACTION MECHANISM; REACTION PATHWAYS; RELATIVE RATES;

CATALYSIS; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; ETHANE; OLEFINS; REACTION RATES;

REACTION INTERMEDIATES;

EID: 84863143567     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp2088274     Document Type: Article

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