COMPARISON BETWEEN ETHYLENE DIMERIZATION AND DIELS-ALDER REACTION

被引：26

作者：

JUG, K

KRUGER, HW

机构：

[1] Theoretische Chemie, Technische Universität Hannover, Hannover 1, D-3000

来源：

THEORETICA CHIMICA ACTA | 1979年 / 52卷 / 01期

关键词：

Cycloaddition reactions;

D O I：

10.1007/BF00581697

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The reaction pathways for the two reactions 2C2H4↔C4H8 and C2H4+C4H6↔ C6H10 were investigated. The transition state geometries and activation energies were determined with the SINDO method and compared. Both reactions were found concerted with different significance of diradical character at the transition state. Whereas the ethylene dimerization showed that a diradical will be encountered along the reaction pathway, we did not find one in the Diels-Alder reaction. © 1979 Springer-Verlag.

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页码：19 / 26

页数：8

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