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

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

doi:10.1039/c3cp54295e

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

Nicole M. Smith, K. Swaminathan Iyer, Ben Corry^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

23 Citations (Scopus)

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.

Original language	English
Pages (from-to)	6986-6989
Number of pages	4
Journal	Physical Chemistry Chemical Physics
Volume	16
Issue number	15
DOIs	https://doi.org/10.1039/c3cp54295e
Publication status	Published - 21 Apr 2014

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

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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AU - Smith, Nicole M.

AU - Swaminathan Iyer, K.

AU - Corry, Ben

PY - 2014/4/21

Y1 - 2014/4/21

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/84897863067

U2 - 10.1039/c3cp54295e

DO - 10.1039/c3cp54295e

M3 - Article

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VL - 16

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JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 15

ER -

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

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