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

Nicole M. Smith | Zendy; K. Swaminathan Iyer | Zendy; Ben Corry | Zendy

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

Author(s) -

Nicole M. Smith,

K. Swaminathan Iyer,

Ben Corry

Publication year - 2014

Publication title -

physical chemistry chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.053

H-Index - 239

eISSN - 1463-9084

pISSN - 1463-9076

DOI - 10.1039/c3cp54295e

Subject(s) - regioselectivity , carbon nanotube , alder , diels–alder reaction , space (punctuation) , nanotechnology , chemistry , materials science , organic chemistry , computer science , catalysis , biology , ecology , operating system

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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