Effect of Al<sub>2</sub>O<sub>3</sub> support on the activation parameters of the C–C bond catalytic cleavage in propanoic acid
The effect of support on the activation parameters of C-C bond cleavage in a propanoic acid molecule was studied with DFT-PBE approach using the model of Pd9 cluster supported on (Al2O3)4 and (Al2O3)4(OH)2. Free activation energy is higher for Pd9/Al8O12 and Pd9/Al8O12(OH)2 (135-146 kJ∙mol-1 ) compa...
| Main Authors: | , , |
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| Format: | Article |
| Language: | Russian |
| Published: |
MIREA - Russian Technological University
2014-12-01
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| Series: | Тонкие химические технологии |
| Subjects: | |
| Online Access: | https://www.finechem-mirea.ru/jour/article/view/425 |