Simoes, M.C. orcid.org/0000-0002-6904-6280, Hughes, K.J., Ingham, D.B. et al. (2 more authors) (2017) Estimation of the Thermochemical Radii and Ionic Volumes of Complex Ions. Inorganic Chemistry, 56 (13). pp. 7566-7573. ISSN 0020-1669
Abstract
The estimation of the thermochemical radius is very important because most of the properties of the electrolyte solutions are, to some extent, linked to this property. Also, these thermochemical radii can be used to estimate lattice energies, which can be a very important parameter to be evaluated when assessing the possibility of synthesizing new inorganic materials. This study presents a formulation for estimating the thermochemical radii of complex ions. More specifically, these thermochemical radii are estimated using a weighted sum based on the radii of the contributing cations and anions. Also, the influence of the ionic charge on these thermochemical radii is assessed and discussed. Finally, the parameters obtained from the estimation of the thermochemical radii of complex cations are used to estimate cation volumes, and this estimation is then validated through comparison with literature values. As a result, the equations developed for thermochemical radii of complex ions produce predictions that are accurate to within 15% in general, whereas the equation developed to estimate cation volumes produces predictions that are accurate to within 20% considering cation volumes greater than 70 Å(3).
Metadata
Item Type: | Article |
---|---|
Authors/Creators: |
|
Copyright, Publisher and Additional Information: | © 2017 American Chemical Society. This is an author produced version of a paper subsequently published in Inorganic Chemistry. Uploaded in accordance with the publisher's self-archiving policy. |
Dates: |
|
Institution: | The University of Sheffield |
Academic Units: | The University of Sheffield > Faculty of Engineering (Sheffield) > Department of Mechanical Engineering (Sheffield) |
Depositing User: | Symplectic Sheffield |
Date Deposited: | 27 Jul 2017 09:55 |
Last Modified: | 17 Jan 2020 15:34 |
Published Version: | https://doi.org/10.1021/acs.inorgchem.7b01205 |
Status: | Published |
Publisher: | American Chemical Society |
Refereed: | Yes |
Identification Number: | 10.1021/acs.inorgchem.7b01205 |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:119570 |