The Initiation Mechanism of the Isoolefin Oligomerization Reaction in the Presence of Ethylaluminum Dichloride–Protonodonor Complex Catalysts
摘要
Abstract
The mechanism of the initiation of isoolefins in the presence of ethylaluminum dichloride–proton donor (water, phenol, hydrochloric acid) complex catalysts is studied by ab initio HF.3.21G. The energetics of these reactions is estimated, and the values of its activation energy and thermal effects are obtained. It is found that among the studied catalysts, an increase in the activation energy of the reaction of the initiation of oligomerization of isoolefins contributes to an increase in the selectivity of the process.