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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 15(16), p. 6986, 2014
DOI: 10.1039/c3cp54295e
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The confined space inside carbon nanotubes can dictate the stereo- and regioselectivity of Diels-Alder reactions
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Abstract
Chemical reactions inside carbon nanotubes can yield unusual outcomes. Molecular dynamics simulations show that within the confined space of carbon nanotubes, the 1,4-exo adduct of a Diels-Alder cycloaddition may be produced instead of the 9,10-adduct, which is favoured in bulk. The likely product is highly dependent on the nanotube radius and reactant size.