Anomalous Water Penetration in Al<sup>3+</sup> Dissolution
The physicochemical characterization of trivalent ions is limited due to a lack of accurate force fields. By leveraging the latest machine learning force field to model aqueous AlCl<sub>3</sub>, we discover that upon dissolution of Al<sup>3+</sup>, water molecules beyond the second hydration shell are involved in the hydration process. A combination of scissoring of coordinating water is followed by synchronized secondary motion of water in the second solvation shell due to hydrogen bonding. Consequently, the water beyond the second solvation penetrates through the second solvation shell and coordinates to the Al<sup>3+</sup>. Our study reveals a novel microscopic understanding of solvation dynamics for the trivalent ion.
Authors
- Changbong Hyeon (ORCID: https://orcid.org/0000-0002-4844-7237)
- Seungtae Kim (ORCID: https://orcid.org/0000-0002-4550-2747)
- Ji Woong Yu (ORCID: https://orcid.org/0000-0001-8479-401X)
- Siyoung Q. Choi (ORCID: https://orcid.org/0000-0002-6020-3091)
- Won Bo Lee (ORCID: https://orcid.org/0000-0001-7801-083X)
- Minwoo Kim (ORCID: https://orcid.org/0009-0005-5033-4740)
Institutions
- Korea Institute for Advanced Study (KR)
- Seoul National University (KR)
- Korea Advanced Institute of Science and Technology (KR)
Publication Details
- Journal
- The Journal of Physical Chemistry Letters
- Published
- 2024-10-24
- DOI
- https://doi.org/10.1021/acs.jpclett.4c02430
- Citations
- 4
- Primary Topic
- Chemical and Physical Properties of Materials
- Type
- article
- Field-Weighted Citation Impact
- 0.47
Funders
- Ministry of Education
- National Research Foundation of Korea
- Samsung Science and Technology Foundation