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Updated: Jun 17, 2025

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
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通过振动光谱学和量子化学计算研究的离子液体1-乙基-3-甲基化及其水溶液中的结构和分子间相互作用

Sergey A Katsyuba1, Stefan Grimme2

  • 1Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Centre of RAS, Kazan, Russia.

Journal of computational chemistry
|August 14, 2024
PubMed
概括

量子力学建模揭示了溶解如何影响离子液体 (IL) 振动. 1-乙基-3-甲基化 (EmimBr) 和阳离子/水之间的键影响红外光谱,区分离子对类型.

关键词:
在 DFT 方面,它是最重要的.集群集群是指一个集群的集群.有明确的解法解法.通过气结合,形成了气结合.振动光谱 振动光谱

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