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Journal
2009 | 7 | 3 | 328-336
Article title

Theoretical determination of the favorable mechanism of the reaction between AlX and HX (X = Br, Cl, and F)

Content
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Languages of publication
EN
Abstracts
EN
The reaction mechanism between AlX and HX (X = Br, Cl, and F) have been characterized in detail using DFT as well as the ab initio method. The reaction yielding AlX3 and molecular hydrogen was calculated to be highly exothermic. The present calculations also show that the possible routes to the trihalides species start more favorable with the primary insertion product AlX2H than with the biadduct AlX(HX)2 one. [...]
Publisher

Journal
Year
Volume
7
Issue
3
Pages
328-336
Physical description
Dates
published
1 - 9 - 2009
online
21 - 6 - 2009
Contributors
  • Faculty of Science, Department of Chemistry, Cadi Ayyad University, Semlalia, B.P. 2390, Marrakech, Morocco
  • Faculty of Science, Department of Chemistry, Cadi Ayyad University, Semlalia, B.P. 2390, Marrakech, Morocco, boutalib@ucam.ac.ma
References
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.-psjd-doi-10_2478_s11532-009-0026-y
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