A topological path to the formation of a quasi-planar B<sub>70</sub> boron cluster and its dianion-Reference-Cited by-同舟云学术

A topological path to the formation of a quasi-planar B₇₀ boron cluster and its dianion

Published:2024 Issue: Volume: Page:
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Saha Pinaki¹^ORCID,Buendía Fernando²^ORCID,Van Duong Long³^ORCID,Nguyen Minh Tho⁴⁵^ORCID

Affiliation:

1. Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium

2. Instituto de Física, Universidad Nacional Autónoma de México, C.P. 04510 Cd. de México, Mexico

3. Department of Chemistry, Faculty of Natural Sciences, Quy Nhon University, Quy Nhon City, Vietnam

4. Laboratory for Chemical Computation and Modeling, Institute for Computational Science and Artificial Intelligence, Van Lang University, Ho Chi Minh City, Vietnam

5. Faculty of Applied Technology, School of Technology, Van Lang University, Ho Chi Minh City, Vietnam

Abstract

Structures of B70 in both neutral and dianionic states were reinvestigated using genetic search, leapfrog path and DFT computations. The quasi-planar form of the B702− dianion possesses 50 π-electrons that satisfy disk aromaticity count and make it the most stable isomer.

Funder

Vingroup Innovation Fund

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D2CP05452C

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