C50Cl10, a planar aromatic fullerene. Computational study of 13C-NMR chemical shift anisotropy patterns and aromatic properties-Reference-Cited by-同舟云学术

C50Cl10, a planar aromatic fullerene. Computational study of 13C-NMR chemical shift anisotropy patterns and aromatic properties

Published:2018 Issue:41 Volume:20 Page:26325-26332
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Miralrio Alan¹²³⁴⁵^ORCID,Sansores Luis E.⁶⁷⁴⁵⁸,King Bruce⁹¹⁰¹¹¹²^ORCID,Muñoz-Castro Alvaro¹³¹⁴¹⁵¹⁶^ORCID

Affiliation:

1. Departamento de Física y Química Teórica

2. DEPg. Facultad de Química

3. Universidad Nacional Autónoma de México

4. UNAM

5. Ciudad de México 04510

6. Departamento de Materiales de Baja Dimensionalidad

7. Instituto de Investigaciones en Materiales

8. Mexico

9. Department of Chemistry

10. University of Georgia

11. Athens

12. USA

13. Grupo de Química Inorgánica y Materiales Moleculares

14. Universidad Autonoma de Chile

15. Santiago

16. Chile

Abstract

The structural characterization of D_5h-C₅₀Cl₁₀ as an IPR-violating fullerene provides an interesting case of an oblate structure displaying a planar-aromatic character provided by the face-to-face disposition of two IPR structural motifs, as unraveled by DFT calculations.

Funder

Fondo Nacional de Desarrollo Científico y Tecnológico

Dirección General de Asuntos del Personal Académico, Universidad Nacional Autónoma de México

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP04938F

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