High ethane dehydrogenation activity of [GaH]2+{single bond}Al pair sites in Ga/H-[Al]ZSM-5: A DFT thermochemical analysis of the catalytic sites under reaction conditions

Journal of Catalysis

Volumn 246, Issue 2, 2007, Pages 249-265

  Joshi, Yogesh V ^a   Thomson, Kendall T ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

Alkyl activation; Br nsted Evans Polanyi relation; Carbenium activation; Density Functional Theory; Ethane dehydrogenation; Ga H Al ZSM 5; Pair Al sites; Zeolites

Indexed keywords

ALKYLATION; ATOMS; CATALYSIS; CHEMICAL ANALYSIS; CHEMICAL BONDS; DEHYDROGENATION; ENTHALPY; PROBABILITY DENSITY FUNCTION; ZEOLITES;

ALKYL ACTIVATION; BRNSTED-EVANS-POLANYI RELATION; CARBENIUM ACTIVATION; ETHANE DEHYDROGENATION; GA-H[AL]ZSM-5; PAIR-AL SITES;

ETHANE;

EID: 33846905720     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2006.11.032     Document Type: Article

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