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Ab initio study on alkyl radical decomposition and alkyl radical addition to olefins

✍ Scribed by Viskolcz, Béla ;Seres, László

Book ID
106513080
Publisher
Springer
Year
2009
Tongue
English
Weight
268 KB
Volume
96
Category
Article
ISSN
0133-1736

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Polar Effects in the Addition of Alkyl R
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**The presence of a negative partial charge on the benzylic carbon atom in the transition state** __(1)__ can be deduced from the experimentally determinable Hammett ϱ values. Alkyl radicals R^˙^ are accordingly seen to develop nucleophilic properties during addition to olefins. equation image

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Addition of metbyl radicals to ethylene and acetylene has been studwd by nb mitio molecular-orbital calculauons In agreemen! with expcrimenlal dam, we find that, although addition IO ethylene is charactenred by a lower activation energy. addition LO acetylene is faster due to the opposile and larger