Stability and bonding of the multiply coordinated bimetallic boron cycles: B8M22−, B7NM2and B6C2M2with M = Sc and Ti-Reference-Cited by-同舟云学术

Stability and bonding of the multiply coordinated bimetallic boron cycles: B8M22−, B7NM2and B6C2M2with M = Sc and Ti

Published:2016 Issue:57 Volume:6 Page:51503-51512
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Pham Hung Tan¹²³⁴⁵,Tam Nguyen Minh¹²³⁴⁵,Pham-Ho My Phuong⁶³⁴,Nguyen Minh Tho⁷⁸⁹¹⁰

Affiliation:

1. Computational Chemistry Research Group

2. Ton Duc Thang University

3. Ho Chi Minh City

4. Vietnam

5. Faculty of Applied Sciences

6. Institute for Computational Science and Technology (ICST)

7. Department of Chemistry

8. KU Leuven

9. B-3001 Leuven

10. Belgium

Abstract

A theoretical investigation of the geometry, stability and aromaticity of boron clusters doped by two Sc and Ti atoms was carried out using DFT calculations.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA04948F

Reference55 articles.

1. Boron: Elementary Challenge for Experimenters and Theoreticians

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

3. Structure of boron clusters revisited, Bn with n=14–20

4. Electronic structure and photoelectron spectra of Bnwith n = 26–29: an overview of structural characteristics and growth mechanism of boron clusters

5. Electronic Structure and Chemical Bonding in the Double Ring Tubular Boron Clusters

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