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Issue 25, 2011
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Controlling fullerene addition sequences, regioselectivity and magic numbers via metal encapsulation

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Abstract

A systematic density functional study of chlorine addition to C70 up to C70Cl12 confirms experimental observations of regioselectivity and stability of C70Cl10. We show that K@C70 follows an alternative addition sequence with different isomers and magic numbers to C70 such as KC70Cl3. This prediction is important for controlling functionalisation behaviour via encapsulation and endofullerene purification.

Graphical abstract: Controlling fullerene addition sequences, regioselectivity and magic numbers via metal encapsulation

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Publication details

The article was received on 23 Feb 2011, accepted on 28 Mar 2011 and first published on 12 Apr 2011


Article type: Communication
DOI: 10.1039/C1CC11072A
Citation: Chem. Commun., 2011,47, 7051-7053
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    Controlling fullerene addition sequences, regioselectivity and magic numbers via metal encapsulation

    A. Vlandas, C. P. Ewels and G. Van Lier, Chem. Commun., 2011, 47, 7051
    DOI: 10.1039/C1CC11072A

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