Double aromaticity of the B40 fullerene: induced magnetic field analysis of π and σ delocalization in the boron cavernous structure-Reference-Cited by-同舟云学术

Double aromaticity of the B40 fullerene: induced magnetic field analysis of π and σ delocalization in the boron cavernous structure

Published:2019 Issue:36 Volume:21 Page:20232-20238
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Charistos Nickolas D.¹²³⁴⁵^ORCID,Muñoz-Castro Alvaro⁶⁷⁸⁹¹⁰^ORCID

Affiliation:

1. Aristotle University of Thessaloniki

2. Department of Chemistry

3. Laboratory of Quantum and Computational Chemistry

4. Thessaloniki

5. Greece

6. Laboratorio de Química Inorgánica y Materiales Moleculares

7. Facultad de Ingeniería

8. Universidad Autonoma de Chile

9. Santiago

10. Chile

Abstract

B₄₀ enables the formation of a strong long range shielding response under different orientations, characterizing the spherical aromatic nature of the cavernous D_2d structure, which was dissected to contributions from π, σ and core electrons.

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/2019/CP/C9CP04223G

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5. C60: Buckminsterfullerene

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