Increasing solubility of Mg(CF3SO3)2 and spectroscopic monitoring of the ion association and solvation phenomena in a magnesium battery electrolyte

IF 3.1 3区 化学 Q3 CHEMISTRY, PHYSICAL
Gabriel R. Lamas , Olivia B.A. Quintanilha , Dorota Jamróz , Andrzej Eilmes , Wagner A. Alves
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Abstract

Mg(CF3SO3)2-diglyme electrolytes containing adequate formamide amounts were studied for the first time by Raman spectroscopy in the range 0.1–1.1 mol kg−1. The ion association was experimentally identified at the υs(SO3), δas(CF3 + SO3) and δs(CF3) regions of the anion, and the high sensitivity of the symmetric angular deformation mode revealed that such a phenomenon is present from the most diluted salt solution. Quantum chemical computations were also employed for the first time to assign the most intense bands of non-associated triflate and associated to the Mg(II) cation. Despite the high ion association degree, the presence of formamide molecules in the solvation structures is an important parameter and may have substantial impact on the electrochemical performance of this new formulation.

Abstract Image

镁电池电解液中Mg(CF3SO3)2溶解度的提高及离子缔合和溶剂化现象的光谱监测
在0.1 ~ 1.1 mol kg−1范围内,首次用拉曼光谱研究了含有足量甲酰胺的Mg(CF3SO3)2-二甘氨酸电解质。在负离子的 (SO3)区、δas(CF3 + SO3)区和δs(CF3)区发现了离子缔合现象,对称角变形模式的高灵敏度表明,这种现象在最稀释的盐溶液中存在。量子化学计算也首次用于分配非相关的三氟酸盐和相关的Mg(II)阳离子的最强波段。尽管有很高的离子缔合度,但甲酰胺分子在溶剂化结构中的存在是一个重要的参数,可能对这种新配方的电化学性能产生重大影响。
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来源期刊
Chemical Physics Letters
Chemical Physics Letters 化学-物理:原子、分子和化学物理
CiteScore
5.70
自引率
3.60%
发文量
798
审稿时长
33 days
期刊介绍: Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review. Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage. Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.
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