Concerted vs Stepwise Mechanism in 1,3-dipolar Cycloaddition of Nitrone to Ethene, Cyclobutadiene and Benzocyclobutadiene. A Computational Study.
Academic Article
Publication Date:
2000
abstract:
The problem of competition between concerted and stepwise diradical mechanisms in 1,3-dipolar cycloadditions was addressed by studying the reaction between nitrone and ethene with DFT (R(U)B3LYP/6-31G*) and post HF methods. According to calculations this reaction should take place via the concerted cycloaddition path
Iris type:
1.1 Articolo in rivista
Keywords:
reaction mechanism; Dipolar cycloadditions
List of contributors:
DI VALENTIN, C.; Freccero, Mauro; Gandolfi, Remo; Rastelli, A.
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