Article ID Journal Published Year Pages File Type
5419312 Journal of Molecular Structure: THEOCHEM 2006 7 Pages PDF
Abstract
In a second part, we define and calculate indices of reactivity, which characterize the effects of a second substitution in a given position of monosubstituted ethylene or diene. We briefly discuss their consequences for reactivity, regioselectivity and stereoselectivity. Finally, we investigate the possibility of computing a partition of σ and π effects. We conclude that for butadiene substitution, σ effects are almost the same in positions 1 and 2 whereas π effects should be stronger in position 2.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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