Comment on “Uncommon structural and bonding properties in Ag16B4O10” by A. Kovalevskiy, C. Yin, J. Nuss, U. Wedig, and M. Jansen, Chem. Sci., 2020, 11, 962

A. Lobato; Miguel A. Salvadó; J. Manuel Recio

doi:10.1039/D1SC02152D

You do not have JavaScript enabled. Please enable JavaScript to access the full features of the site or access our non-JavaScript page.

Comment on “Uncommon structural and bonding properties in Ag₁₆B₄O₁₀” by A. Kovalevskiy, C. Yin, J. Nuss, U. Wedig, and M. Jansen, Chem. Sci., 2020, 11, 962†

A. Lobato,

‡*^a Miguel A. Salvadó

^a and J. Manuel Recio

*^a

Author affiliations

* Corresponding authors

^a MALTA-Consolider Team, Departamento de Química Física y Analítica, Universidad de Oviedo, E-33006 Oviedo, Spain
E-mail: jmrecio@uniovi.es, alvarolo@chalmers.se

Abstract

A thorough systematic study of the Electron Localization Function (ELF) in fcc silver metal, the deficient vacant-type Ag₁₆□₄ structure, and the Ag₁₆B₄O₁₀ title compound of the Chem. Sci., 2020, 11, 962 edge article leads to a further understanding of the sub-valent characteristics of silver in the silver borate compound. By visualizing the process in three consecutive steps, (fcc)_eq-Ag → (fcc)_ex-Ag → Ag₁₆□₄ → Ag₁₆B₄O₁₀, the electron reduction of Ag atoms can be traced to be due to (i) the expansion (ex) of the host metallic array from its equilibrium (eq) geometry and (ii) the vacancy creation and subsequent insertion of guest borate clusters. Our ELF analysis also allows us to identify to what extent metallic features remain in the title compound, providing an alternative explanation of why Ag₁₆B₄O₁₀ is not a conductor whereas pure silver is.

Download options Please wait...

Associated articles

Supplementary files

Supplementary information PDF (330K)

Article information

DOI: https://doi.org/10.1039/D1SC02152D
Article type: Comment
Submitted: 16 Apr 2021
Accepted: 15 Sep 2021
First published: 05 Oct 2021
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry

Download Citation

Chem. Sci., 2021,12, 13588-13592

Permissions

Request permissions

Comment on “Uncommon structural and bonding properties in Ag₁₆B₄O₁₀” by A. Kovalevskiy, C. Yin, J. Nuss, U. Wedig, and M. Jansen, Chem. Sci., 2020, 11, 962

A. Lobato, M. A. Salvadó and J. M. Recio, Chem. Sci., 2021, 12, 13588 DOI: 10.1039/D1SC02152D

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.

To request permission to reproduce material from this article in a commercial publication, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party commercial publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Social activity

Fetching data from CrossRef.
This may take some time to load.

Chemical Science