Journal article
La 3+ Networks and Speciation in the Molten State: Impact of Spacer Salt Selection on Structural Heterogeneity
Journal of the American Chemical Society, Vol.148(12), pp.12476-12480
03/19/2026
DOI: 10.1021/jacs.5c22776
PMCID: PMC13047673
PMID: 41855536
Abstract
We recently introduced the concept of a “spacer salt” that creates structural heterogeneity and intermediate range order. Put simply, a fully networked salt melt, such as LaCl3 or UCl3, becomes disrupted by the introduction of ions that do not participate in the network. One of the results of this disruption is the experimental observation of two characteristic distances between the multivalent cations: the shorter “in-network” distance and the longer “across-network” distance spaced by the low-valency salt. The longer characteristic distance, absent if there is no spacer salt, is the culprit for a new first sharp diffraction peak in scattering experiments. Intuitively, it would appear to follow from this analysis that higher concentrations of the lower-valency salt would further separate multivalent cations, resulting in a shift to lower q values of this first sharp diffraction peak. We will show experimentally and computationally that this is not always the case because multiple other factors enter into play.
Details
- Title: Subtitle
- La 3+ Networks and Speciation in the Molten State: Impact of Spacer Salt Selection on Structural Heterogeneity
- Creators
- Bichitra Borah - University of IowaMatthew S Emerson - Brookhaven National LaboratorySantanu Roy - Oak Ridge National LaboratoryJohn J Ferrari - Stony Brook UniversityKarena W Chapman - Stony Brook UniversityLeighanne C Gallington - Argonne National LaboratoryDiwash Dhakal - National Nuclear Security AdministrationEllie M Kim - University of Tennessee at KnoxvillePhillip W Halstenberg - Oak Ridge National LaboratorySheng Dai - Oak Ridge National LaboratorySimerjeet K Gill - National Nuclear Security AdministrationJames F Wishart - Brookhaven National LaboratoryClaudio J Margulis - University of Iowa
- Resource Type
- Journal article
- Publication Details
- Journal of the American Chemical Society, Vol.148(12), pp.12476-12480
- DOI
- 10.1021/jacs.5c22776
- PMID
- 41855536
- PMCID
- PMC13047673
- NLM abbreviation
- J Am Chem Soc
- ISSN
- 1943-2984
- eISSN
- 1520-5126
- Publisher
- AMER CHEMICAL SOC
- Grant note
- Basic Energy Sciences: DE-AC02-06CH11357 Brookhaven National Laboratory: NA
This work was supported as part of the Molten Salts in Extreme Environments (MSEE) Energy Frontier Research Center, funded by the U.S. Department of Energy (DOE) Office of Science, Office of Basic Energy Sciences. Work at Brookhaven National Laboratory (BNL) and Oak Ridge National Laboratory was supported by DOE contracts DE-SC0012704 and DE-AC05-00OR22725, respectively. Work at the University of Iowa and at the University of Tennessee Knoxville was supported under subcontract from BNL. BB and CJM acknowledge the University of Iowa High Performance Computing Facility. This research used resources at beamline 28-ID-2, the X-ray Powder Diffraction (XPD) beamline of the National Synchrotron Light Source II, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under contract no. DE-SC0012704. Reduction of X-ray scattering data was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under award numbers DE-SC0026115 and DE-AC02-06CH11357 at Stony Brook University and Argonne National Laboratory, respectively.
- Language
- English
- Date published
- 03/19/2026
- Academic Unit
- Chemistry
- Record Identifier
- 9985147205602771
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