MINDO/2 calculations on the reaction of methyl radicals with ethylene and butadiene View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

1971-06

AUTHORS

James R. Hoyland

ABSTRACT

Semiempirical calculations using the MINDO/2 procedure have been carried out on the potential surface for the reaction of a methyl radical with ethylene and trans-butadiene. The transition state is predicted to be reactant-like in character and no evidence of resonance stabilization of the activated complex is found for butadiene. It is conjectured that the experimentally observed lowering of the activation energy for butadiene relative to ethylene may be attributed to differential correlation effects. More... »

PAGES

229-233

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf00537631

DOI

http://dx.doi.org/10.1007/bf00537631

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1006773924


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