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

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Date

2014

Authors

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

Journal Title

Journal ISSN

Volume Title

Publisher

Royal Society of Chemistry

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.

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Citation

URI

http://hdl.handle.net/1885/29001

Collections

ANU Research Publications

Source

Physical Chemistry Chemical Physics

Type

Journal article

Book Title

Entity type

Access Statement

License Rights

DOI

10.1039/c3cp54295e

Restricted until

2037-12-31

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01_Smith_The_confined_space_inside_2014.pdf (1.36 MB)

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