Isomeric Cation Engineering Enables Composition Preserving Property Tuning in Energetic Salts
Related Experiment Video
Updated: Nov 7, 2026

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
Published on: August 22, 2025
Jatinder Singh1, Jean'ne M Shreeve1
1Department of Chemistry, University of Idaho, Moscow, Idaho83844-2343, United States.
Abstract:
Cationic isomerism offers a means of tuning energetic assemblies while retaining molecular composition. Here, a constitutional isomer (C2) of the planar TATOT cation (C1) was used to transform a conventional 1:2 salt into a three-component 1:1:1 system. Replacing C1 with C2 preserves the overall composition while changing the molecular environment surrounding the energetic dianion. The resulting mixed cation salt exhibits changes in thermal stability, sensitivity, density, and energetic performance relative to the corresponding single cation system, demonstrating a composition preserving approach to tuning energetic salts.
More Related Videos
10:42Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of Chalcogenidoplumbates(II or IV)
Published on: December 29, 2016
12:02Determination of Thermodynamic Properties of Alkaline Earth-liquid Metal Alloys Using the Electromotive Force Technique
Published on: November 3, 2017
Related Concept Videos
Ionic Strength: Effects on Chemical Equilibria
In this solution, the primary cation—the calcium...
Ionic Bonding and Electron Transfer
Structural Isomerism
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can be...
Ionic Association
Ion Exchange
Stereoisomerism
Isomers are different chemical species that have the same chemical formula.
Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...