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2009 | 7 | 3 | 328-336
Tytuł artykułu

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

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
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. [...]
Wydawca

Czasopismo
Rocznik
Tom
7
Numer
3
Strony
328-336
Opis fizyczny
Daty
wydano
2009-09-01
online
2009-06-21
Twórcy
  • 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
Bibliografia
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11532-009-0026-y
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