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Author(s):   Yin, P.; Hu, Y.C.; Kong, L.Y.; Zhang, P.J.; Tang, Q.H.; Sun, L.; Xu, X.H.
Title:   Studies on the thermodynamic and kinetic properties of the insertion reactions for (XAl, X = H, Na, F, Cl, SH) with polar molecule hydrogen chloride at 200-1000 K
Journal:   Europhys. Lett.
Volume:   77
Year:   2007
Reference type:   Journal article
Squib:   2007YIN/HU23001

Reaction:   HCl + AlF → H-Al(F)-Cl
Reaction order:   2
Temperature:   200 - 1000 K
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   Reaction potential energy surface was studied using quantum chemistry. Although transition state theory was applied, rate constants were calculated not for the title reaction but for the unimolecular isomerization of the shallow-well pre-reaction complex to the product. No Arrhenius expressions are given; these unimolecular rate constants are give in a table.

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