A theoretical approach to the role of different types of electrons in planar elongated boron clusters-Reference-Cited by-同舟云学术

A theoretical approach to the role of different types of electrons in planar elongated boron clusters

Published:2019 Issue:24 Volume:21 Page:13030-13039
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Duong Long Van¹²³⁴⁵^ORCID,Mai Dang Thi Tuyet⁶⁷⁸⁹,Pham-Ho My Phuong¹²³⁴⁵,Nguyen Minh Tho¹²³⁴⁵^ORCID

Affiliation:

1. Laboratory of Molecular Science and Nanomaterials

2. Institute for Computational Science and Technology (ICST)

3. Quang Trung Software City

4. Ho Chi Minh City

5. Vietnam

6. Department of Chemistry

7. KU Leuven

8. B-3001 Leuven

9. Belgium

Abstract

While the stability of planar elongated pure boron clusters is determined by their […σ²⁽ⁿ⁺¹⁾ π₁²⁽ⁿ⁺¹⁾ π₂²ⁿ] electronic configuration, the rectangle model can rationalize the π electronic configuration of rectangle-shaped structures.

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/C9CP00737G

Reference68 articles.

1. All-boron aromatic clusters as potential new inorganic ligands and building blocks in chemistry

2. Structure and stability of small boron clusters. A density functional theoretical study

3. Thermochemistry and Electronic Structure of Small Boron Clusters (Bn, n = 5−13) and Their Anions

4. Comprehensive analysis of chemical bonding in boron clusters

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