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Abstract The analysis of reactivity indices suggests the polar nature of the [2+3] cycloaddition of a-phenylnitroethene to (Z)-C,N-diphenylnitrone. Similar conclusions can be drawn from the investigation of the reaction pathways using the B3LYP/6-31g(d) algorithm. This shows that the cycloaddition mechanism depends on the polarity of the reaction medium. A one-step mechanism is followed in the gas...
Abstract Kinetic studies and B3LYP/6-31g(d) calculations indicate the polar nature of [2+3] cycloadditions between 1-chloro-1-nitroethene to (Z)-C-aryl-N-phenylnitrones. This is clearly confirmed by the activation parameters and the substituent and solvent effects. Graphical abstract <alternatives> [...] </alternatives>
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