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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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Article information


Submitted
23 Feb 2011
Accepted
28 Mar 2011
First published
12 Apr 2011

Chem. Commun., 2011,47, 7051-7053
Article type
Communication

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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