Issue: 1(20), 2012. Series: Multi-Topic

QUANTUM-AND-CHEMICAL INVESTIGATION OF THE MECHANISM OF ISOBUTYLENE PROTONATION USING A MNDO METHOD

UDK: 547.425.5

Babkin V. A., Andreyev D. S., Fomichev V. T.

For the first time the authors have investigated the mechanism of isobutylene protonation using a classic quantum- and mechanical MNDO method. They show that this mechanism represents a usual reaction of proton connecting to the monomer double bond. The reaction is exothermic and is of barrier-free character. As a result of the reaction, the energy gain during the attack of an α-carbonic atom equals 499 kDg/mol. The sensitivity of proton to isobutylene is 577 kDg/mol. The classical scheme of the reaction progress according to the Markovnikov rule is economically profitable.

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Other articles in section

UDK: 577.175.522
Babkin V. A., Dmitriyev V. Y., Savin G. A., Zaikov G. Y., Fomichev V. T.
ON THE CONNECTION OF ACID FORCE OF COMPONENTS IN SYNTHESIS 2,2-BI-(O-ACETOXYMETHYL)-1-O-ACETYLBUTANOL
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