The confined space inside carbon nanotubes can dictate the stereo- and regioselectivity of Diels-Alder reactions
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Smith, N M; Swaminathan Iyer, K.; Corry, Ben
Description
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.
Collections | ANU Research Publications |
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Date published: | 2014 |
Type: | Journal article |
URI: | http://hdl.handle.net/1885/29001 |
Source: | Physical Chemistry Chemical Physics |
DOI: | 10.1039/c3cp54295e |
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01_Smith_The_confined_space_inside_2014.pdf | 1.39 MB | Adobe PDF |
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