Chemistry of large hydrated anion clusters X-(H2O)n, n = 0-59 and X = OH, O, O2, and O3. 2. Reaction of CH3CN

<div> <div> <div> <p>The model and analysis methods developed in this work are generally applicable to any polymer electrolyte/cation-anion combination, but we focus on the currently most prominent polymer electrolyte material system: poly(ethylene) oxide/Li- bis(trifluoromethane) sulfonamide (PEO + LiTFSI). The obtained results are surprising and challenge the conventional understanding of ionic transport in polymer electrolytes: the investigation of a technologically relevant salt concentration range (1 - 4 M) revealed the central role of the anion in coordinating and hindering Li ion movement. Our results provide insights into correlated ion dynamics, at the same time enabling rational design of better PEO-based electrolytes. In particular, we report the following novel observations. 1. Strong binding of the Li cation with the polymer competes with significant correlation of the cation with the salt anion. 2. The appearance of cation-anion clusters, especially at high concentration. 3. The asymmetry in the composition (and therefore charge) of such clusters; specifically, we find the tendency for clusters to have a higher number of anions than cations.</p> </div> </div> </div>

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Effect of High Salt Concentration on Ion Clustering and Transport in Polymer Solid Electrolytes: a Molecular Dynamics Study of PEO-LiTFSI

10.26434/chemrxiv.6294941 ◽

2018 ◽

Author(s):

Nicola Molinari ◽

Jonathan P. Mailoa ◽

Boris Kozinsky

Keyword(s):

Polymer Electrolyte ◽

Salt Concentration ◽

Rational Design ◽

Material System ◽

Ion Dynamics ◽

High Concentration ◽

Anion Clusters ◽

Poly Ethylene Oxide ◽

Poly Ethylene

<div> <div> <div> <p>The model and analysis methods developed in this work are generally applicable to any polymer electrolyte/cation-anion combination, but we focus on the currently most prominent polymer electrolyte material system: poly(ethylene) oxide/Li- bis(trifluoromethane) sulfonamide (PEO + LiTFSI). The obtained results are surprising and challenge the conventional understanding of ionic transport in polymer electrolytes: the investigation of a technologically relevant salt concentration range (1 - 4 M) revealed the central role of the anion in coordinating and hindering Li ion movement. Our results provide insights into correlated ion dynamics, at the same time enabling rational design of better PEO-based electrolytes. In particular, we report the following novel observations. 1. Strong binding of the Li cation with the polymer competes with significant correlation of the cation with the salt anion. 2. The appearance of cation-anion clusters, especially at high concentration. 3. The asymmetry in the composition (and therefore charge) of such clusters; specifically, we find the tendency for clusters to have a higher number of anions than cations.</p> </div> </div> </div>

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The study on the reaction of gas-phase Cr<sub><italic>x</italic></sub>N<sup>−</sup> (<italic>x=</italic>2–7) anion clusters with CO<sub>2</sub>

Scientia Sinica Chimica ◽

10.1360/ssc-2020-0061 ◽

2020 ◽

Vol 50 (9) ◽

pp. 1169-1176

Author(s):

Haiyan Zhou ◽

Ming Wang ◽

Jiatong Cui ◽

Chuanxin Sun ◽

Jiabi Ma

Keyword(s):

Gas Phase ◽

Anion Clusters

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Reaction of tungsten anion clusters with molecular and atomic nitrogen

The Journal of Chemical Physics ◽

10.1063/1.1617976 ◽

2003 ◽

Vol 119 (19) ◽

pp. 10307-10312 ◽

Cited By ~ 24

Author(s):

Young Dok Kim ◽

Davor Stolcic ◽

Matthias Fischer ◽

Gerd Ganteför

Keyword(s):

Atomic Nitrogen ◽

Anion Clusters

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Two supramolecular compounds constructed by polyacid anion clusters: Synthesis, characterization and performance research

Main Group Chemistry ◽

10.3233/mgc-210082 ◽

2021 ◽

pp. 1-10

Author(s):

Xiao-Yu Guo ◽

Xiao-Jia Wang ◽

Zhe Liu ◽

Yue-Yan Liu ◽

Jie Liu ◽

...

Keyword(s):

Organic Dyes ◽

High Adsorption ◽

Single Crystal Diffraction ◽

Supramolecular Compounds ◽

Inorganic Hybrid ◽

X Ray ◽

Anion Clusters ◽

High Adsorption Capacity ◽

And Performance ◽

Performance Research

In this paper, two novel organic-inorganic hybrid supramolecule compounds {[Cu·L1’·H2O]·(α-Mo8O26)0.5}n 1 and compound {[Cu·L2’·H2O]·(α-Mo8O26)0.5}n 2 have been synthesized [L1’ = 1, 3-bis (4-carboxylpyridine) propane dibromide, L2’ = 1, 4-bis (4-carboxylpyridine) butane dibromide]. Compounds 1 and 2 have been expressly confirmed by PXRD, IR, X-ray single crystal diffraction and TG. Last, the study found that compounds 1 and 2 have obvious adsorption effects on MB and RhB organic dyes, and compound 2 has high adsorption capacity for MB.

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