Formation of the quasi-planar B50 boron cluster: topological path from B10 and disk aromaticity-Reference-Cited by-同舟云学术

Formation of the quasi-planar B50 boron cluster: topological path from B10 and disk aromaticity

Published:2019 Issue:13 Volume:21 Page:7039-7044
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Pham Hung Tan¹²³⁴⁵^ORCID,Muya Jules Tshishimbi¹⁶⁷^ORCID,Buendía Fernando⁸⁹¹⁰¹¹,Ceulemans Arnout¹²³⁴^ORCID,Nguyen Minh Tho¹²³⁴⁵^ORCID

Affiliation:

1. Department of Chemistry

2. KU Leuven

3. B-3001 Leuven

4. Belgium

5. Institute for Computational Science and Technology (ICST)

6. University of Kinshasa

7. Democratic Republic of Congo

8. Instituto de Investigaciones en Materiales

9. Universidad Nacional Autónoma de México

10. C.P. 04510 Cd. de México

11. Mexico

Abstract

The lowest-lying isomer of the B₅₀ boron cluster is confirmed to have a quasi-planar shape with two hexagonal holes. This cluster is derived from a topological (leapfrog) path from B₁₀ and its high thermodynamical stability is due to a disk aromaticity.

Funder

Onderzoeksraad, KU Leuven

Fonds Wetenschappelijk Onderzoek

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/C9CP00735K

Reference53 articles.

1. Super Atomic Clusters: Design Rules and Potential for Building Blocks of Materials

2. Superatoms: Electronic and Geometric Effects on Reactivity