CH3CH2OH, CD3CD2OD, and CF3CH2OH Decomposition on ZnO(1(1)over-bar00)
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SCOPUS
- Title
- CH3CH2OH, CD3CD2OD, and CF3CH2OH Decomposition on ZnO(1(1)over-bar00)
- Authors
- Reinicker, A; Miller, JB; Kim, W; Yong, K; Gellman, AJ
- Date Issued
- 2015-08
- Publisher
- SPRINGER/PLENUM PUBLISHERS
- Abstract
- The decomposition of CH3CH2OH, CD3CD2OD, and CF3CH2OH on Zn (1 (1) over bar 00) was studied using temperature programmed reaction spectroscopy. CH3CH=O (CD3CD=O, CF3CH=O), CH2=CH2 (CD2=CD2, CF2=CH2), H2O (D2O) and H-2 (D-2) were formed in all cases. The CH3CH2OH decomposition mechanism includes the formation of two intermediate species on the surface: CH3CH2- bonded to surface lattice O atoms decomposes to form CH2=CH2 while CH3CH2O- bonded to surface Zn atoms decomposes to form CH3CH=O. A significant isotope effect observed for the formation of CH2=CH2 versus CD2=CD2 suggests that C-H(D) bond breaking at the beta-carbon is the rate-limiting step in CH3CH2- (CD3CD2-) decomposition. Decomposition of CF3CH2OH leaves F-atoms on the surface as a result of beta-fluoride elimination in CF3CH2-. A significant F substituent effect in desorption of CF3CH=O versus CH3CH=O indicates that the CF3 group increases the barrier to the beta-hydride elimination step yielding CF3CH=O and suggests that the transition state is cationic, C delta+ center dot center dot center dot H delta+.
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/35664
- DOI
- 10.1007/S11244-015-0403-Z
- ISSN
- 1022-5528
- Article Type
- Article
- Citation
- TOPICS IN CATALYSIS, vol. 58, no. 10-11, page. 613 - 622, 2015-08
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