Abstract
The insertion reaction of singlet methylene into a C-H bond of ethylene and the hydrogen abstraction from ethylene by triplet methylene have been theoretically studied by using the 3-21G and 6-31G* basis sets and introducing electron correlation and thermodynamic corrections. The obtained results have permitted us to analyze the mechanistic differences between both processes. The competition between them and the well-known addition reactions to olefinic double bonds is also discussed. © 1988 American Chemical Society.
Original language | English |
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Pages (from-to) | 4180-4184 |
Journal | Journal of Physical Chemistry |
Volume | 92 |
Issue number | 14 |
DOIs | |
Publication status | Published - 1 Jan 1988 |