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Issue 29, 2017
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Rationalizing the relative abundances of trimetallic nitride template-based endohedral metallofullerenes from aromaticity measures

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Abstract

The synthesis of endohedral metallofullerenes (EMFs) from a carbon soot sample of an arc discharge leads to a variety of EMFs that are obtained in different relative abundances. In the present work, we show that these abundances can be predicted from aromaticity calculations. In particular, we use the normalized Additive Local Aromaticity (ALAN) index. Our results show that the most abundant Sc3N-based and Y3N-based EMFs in fullerene soot are the most aromatic. This study reinforces the idea that aromaticity plays a key role in determining the stability of EMFs.

Graphical abstract: Rationalizing the relative abundances of trimetallic nitride template-based endohedral metallofullerenes from aromaticity measures

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Supplementary files

Article information


Submitted
07 Mar 2017
Accepted
20 Mar 2017
First published
21 Mar 2017

This article is Open Access

Chem. Commun., 2017,53, 4140-4143
Article type
Communication

Rationalizing the relative abundances of trimetallic nitride template-based endohedral metallofullerenes from aromaticity measures

M. Garcia-Borràs, S. Osuna, J. M. Luis and M. Solà, Chem. Commun., 2017, 53, 4140
DOI: 10.1039/C7CC01750B

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