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The confined space inside carbon nanotubes can dictate the stereo- and regioselectivity of Diels-Alder reactions

Smith, N M; Swaminathan Iyer, K.; Corry, Ben


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.

CollectionsANU Research Publications
Date published: 2014
Type: Journal article
Source: Physical Chemistry Chemical Physics
DOI: 10.1039/c3cp54295e


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