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Maximum Aromaticity as a Guiding Principle for the Most Suitable Hosting Cages in Endohedral Metallofullerenes
Author(s) -
GarciaBorràs Marc,
Osuna Sílvia,
Swart Marcel,
Luis Josep M.,
Solà Miquel
Publication year - 2013
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201303636
Subject(s) - aromaticity , fullerene , metal , chemistry , endohedral fullerene , chemical physics , computational chemistry , materials science , nanotechnology , crystallography , molecule , organic chemistry
Encapsulating! The encapsulation of metal clusters in endohedral metallofullerenes takes place in cages that, in most cases, are far from being the most stable isomer in the corresponding hollow fullerenes. In contrast to previous proposals, new results indicate that it is the maximum aromaticity criterion that determines the most suitable hosting cages.