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Issue 15, 2014
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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.

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

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Publication details

The article was received on 10 Oct 2013, accepted on 27 Feb 2014 and first published on 27 Feb 2014


Article type: Paper
DOI: 10.1039/C3CP54295E
Citation: Phys. Chem. Chem. Phys., 2014,16, 6986-6989
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    The confined space inside carbon nanotubes can dictate the stereo- and regioselectivity of Diels–Alder reactions

    N. M. Smith, K. Swaminathan Iyer and B. Corry, Phys. Chem. Chem. Phys., 2014, 16, 6986
    DOI: 10.1039/C3CP54295E

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