On the formation of spherical aromatic endohedral buckminsterfullerene. Evaluation of M@C60(M = Cr, Mo, W) from relativistic DFT calculations-Reference-Cited by-同舟云学术

On the formation of spherical aromatic endohedral buckminsterfullerene. Evaluation of M@C60(M = Cr, Mo, W) from relativistic DFT calculations

Published:2020 Issue:25 Volume:22 Page:14268-14275
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Rodríguez-Kessler Peter L.¹²³⁴⁵^ORCID,Charistos Nickolas D.⁶⁷⁸⁹¹⁰^ORCID,King R. Bruce⁷¹¹¹²¹³^ORCID,Muñoz-Castro Alvaro¹²³⁴⁵^ORCID

Affiliation:

1. Grupo de Química Inorgánica y Materiales Moleculares

2. Facultad de Ingeniería

3. Universidad Autonoma de Chile

4. Santiago

5. Chile

6. Aristotle University of Thessaloniki

7. Department of Chemistry

8. Laboratory of Quantum and Computational Chemistry

9. Thessaloniki

10. Greece

11. University of Georgia

12. Athens

13. USA

Abstract

The resulting M@C₆₀endohedral fullerenes are 66-π electron neutral species exhibiting bonding properties and electronic structure mimicking the aromaticity and diamagnetic insulator behavior of alkali-C₆₀⁶⁻phases.

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/D0CP02475A

Reference101 articles.

1. C60: Buckminsterfullerene

2. Isolation, separation and characterisation of the fullerenes C60 and C70: the third form of carbon

3. C60: Buckminsterfullerene

4. C60: Buckminsterfullerene, The Celestial Sphere that Fell to Earth

5. Electron Deficiency of the Fullerenes

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