Encapsulation of charged halogens by the 5<sup>12</sup> water cage-Reference-Cited by-同舟云学术

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Encapsulation of charged halogens by the 5¹² water cage

Published:2024 Issue:21 Volume:26 Page:15426-15436
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Gómez Sara¹^ORCID,Flórez Elizabeth²^ORCID,Acelas Nancy²,Cappelli Chiara¹^ORCID,Hadad Cacier³^ORCID,Restrepo Albeiro³^ORCID

Affiliation:

1. Scuola Normale Superiore, Classe di Scienze, Piazza dei Cavalieri 7, 56126 Pisa, Italy

2. Grupo de Materiales con Impacto, Mat&mpac. Facultad de Ciencias Básicas, Universidad de Medellín, Carrera 87 No. 30-65, 050026 Medellín, Colombia

3. Instituto de Química, Universidad de Antioquia UdeA, Calle 70 No. 52–21, Medellín, Colombia

Abstract

This study focuses on the encapsulation of the entire series of halides by the 512 cage of twenty water molecules and on the characterization of water to water and water to anion interactions.

Funder

Universidad de Antioquia

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP01340A

Reference76 articles.

1. Hydrated Anions: From Clusters to Bulk Solution with Quasi-Chemical Theory

2. Experimental and theoretical study of hydration of halide ions

3. Microsolvation of small cations and anions

4. A detailed look at the bonding interactions in the microsolvation of monoatomic cations

5. Toward Chemical Accuracy in the Description of Ion–Water Interactions through Many-Body Representations. I. Halide–Water Dimer Potential Energy Surfaces

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