The Initiation Mechanism of the Isoolefin Oligomerization Reaction in the Presence of Ethylaluminum Dichloride – Protonodonor Complex Catalysts

The mechanism of isoolefins initiation in the presence of ethylaluminum dichloride – proton donor (water, phenol, hydrochloric acid) complex catalysts has been studied by ab initio HF.3.21G. The energetics of these reactions was estimated, the values of its activation energy and thermal effects were obtained. It was found that among the studied catalysts, an increase in the activation energy of the reaction of initiation of oligomerization of isoolefins contributes to an increase in the selectivity of the process.

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Journal
Химическая физика
Published
2024-09-08
DOI
https://doi.org/10.31857/s0207401x24030045
Primary Topic
Catalysis and Oxidation Reactions
Type
article
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article

The Initiation Mechanism of the Isoolefin Oligomerization Reaction in the Presence of Ethylaluminum Dichloride – Protonodonor Complex Catalysts

M. I. Artsis, D. S. Zakharov, В. А. Бабкин, V. V. Vovko et al.
Химическая физика
Catalysis and Oxidation Reactions
article

The Initiation Mechanism of the Isoolefin Oligomerization Reaction in the Presence of Ethylaluminum Dichloride – Protonodonor Complex Catalysts

M. I. Artsis, D. S. Zakharov, В. А. Бабкин, V. V. Vovko, Д. С. Андреев, А. В. Игнатов, V. S. Belousova, Г. Е. Заиков
article en

Abstract

The mechanism of isoolefins initiation in the presence of ethylaluminum dichloride – proton donor (water, phenol, hydrochloric acid) complex catalysts has been studied by ab initio HF.3.21G. The energetics of these reactions was estimated, the values of its activation energy and thermal effects were obtained. It was found that among the studied catalysts, an increase in the activation energy of the reaction of initiation of oligomerization of isoolefins contributes to an increase in the selectivity of the process.

Химическая физикаVol. 43(3)
Sechenov University (RU), Volgograd State Technical University (RU), Institute of Biochemical Physics NM Emanuel (RU)
Openalex Percentile: Top 93%
Catalysis and Oxidation Reactions
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