Abstract
Halophilic reactions have been modeled theoretically by employing CBr 4, Cl 3CCN, Cl 3CCOCl, CCl 4 and Cl 3CF as substrates and Cl − as a nucleophile. It was found that the formation of the strong halogen bond is a necessary but not sufficient condition for the occurring of the halophilic reaction: the strong red-shifting halogen bond facilitates the reaction whereas the strong blue-shifting halogen bond retards it. The theoretical results are in good agreement with the experimental results.
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