Revisiting the potential-energy surface of CnBe3n+2H2n+22+ (n = 2–4) clusters: are planar pentacoordinate carbon structures the global minima?-Reference-Cited by-同舟云学术

Revisiting the potential-energy surface of C_nBe_3n+2H_2n+2²⁺ (n = 2–4) clusters: are planar pentacoordinate carbon structures the global minima?

Published:2023 Issue:30 Volume:25 Page:20235-20240
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Inostroza Diego¹²^ORCID,Vásquez-Espinal Alejandro³^ORCID,Leyva-Parra Luis¹²^ORCID,García-Argote Williams¹²^ORCID,Cerón María Luisa⁴,Yañez Osvaldo⁵^ORCID,Tiznado William²^ORCID

Affiliation:

1. Doctorado en Fisicoquímica Molecular, Facultad de Ciencias Exactas, Universidad Andres Bello, Avenida República 275, Santiago, Chile

2. Centro de Química Teórica & Computacional (CQT&C), Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andrés Bello, Avenida República 275, 8370146, Santiago, Chile

3. Química y Farmacia, Facultad de Ciencias de la Salud, Universidad Arturo Prat, Casilla 121, Iquique 1100000, Chile

4. Facultad de Ingeniería, Universidad Finis Terrae, Av. Pedro de Valdivia 1509, Providencia, Santiago, Chile

5. Núcleo de Investigación en Data Science, Facultad de Ingeniería y Negocios, Universidad de las Américas, Santiago 7500000, Chile

Abstract

The potential energy surface (PES) of the CBe5H5+ and CnBe3n+2H2n+22+ (n = 2–4) clusters was investigated via various exploration strategies.

Funder

Agencia Nacional de Investigación y Desarrollo

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/2023/CP/D3CP02056H

Reference54 articles.

1. Activation energy for interconversion of enantiomers containing an asymmetric carbon atom without breaking bonds

2. Planar tetracoordinate carbon

3. Stabilization of planar tetracoordinate carbon