Th@C86, Th@C82, Th@C80, and Th@C76: role of thorium encapsulation in determining spherical aromatic and bonding properties on medium-sized endohedral metallofullerenes
Author:
Affiliation:
1. Laboratorio de Química Inorgánica y Materiales Moleculares
2. Universidad Autonoma de Chile
3. Llano Subercaseaux 2801
4. Santiago
5. Chile
6. Department of Chemistry
7. University of Georgia
8. Athens
9. USA
Abstract
π-Electron counts of 80, 84, 86, and 90, respectively, with a shell structure ranging from S2P6D10F14G18H22I8 to S2P6D10F14G18H22I18, where the partially filled I-shell remains as a frontier orbital, exhibit a spherical aromatic character.
Funder
Fondo Nacional de Desarrollo Científico y Tecnológico
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP03784B
Reference100 articles.
1. Collisional fragmentation of endohedral fullerenes
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4. Uranium Stabilization of C 28 : A Tetravalent Fullerene
5. A Single Molecule of Water Encapsulated in Fullerene C 60
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