Abstract
By means of the MINDO/3 method the polar 2 + 2 cycloaddition of hydroxyethylene to 1,1-dicyanoethylene and the dimerization of ethylene have been studied. For the polar reaction the transition state has dipolar character, while for the non-polar reaction it has a tricentric structure. The reaction mechanism and the importance of charge transfer are discussed.
| Original language | English |
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| Pages (from-to) | 681-685 |
| Journal | Journal of the Chemical Society, Perkin Transactions 2 (2001) |
| Issue number | 6 |
| Publication status | Published - 1 Dec 1982 |