Rationalizing the relative abundances of trimetallic nitride template-based endohedral metallofullerenes from aromaticity measures
نویسندگان
چکیده
منابع مشابه
Rationalizing the relative abundances of trimetallic nitride template-based endohedral metallofullerenes from aromaticity measures† †Electronic supplementary information (ESI) available: Description of the computational methods used, Fig. S1 with Sc3N ALAN analysis, and Fig. S2 and S3 with Y3N EMF ALAN analysis. See DOI: 10.1039/c7cc01750b Click here for additional data file.
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 Sc...
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ژورنال
عنوان ژورنال: Chemical Communications
سال: 2017
ISSN: 1359-7345,1364-548X
DOI: 10.1039/c7cc01750b