Striking temperature-dependent molecular reorganization at the C-2 position of [EMIM][BF4]
Striking temperature-dependent molecular reorganization at the C-2 position of [EMIM][BF4]
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DOI：
10.1016/j.cplett.2021.138956
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发表时间：
2021-10-08
影响因子：
2.8
通讯作者：
Dutta, Samrat
中科院分区：
文献类型：
--
作者：
Ly Tran;Rush, Kaiyah;Dutta, Samrat
了解咪唑类离子液体随温度变化的结构演变可以促进其高温应用。本文报道了离子液体1-乙基-3-甲基咪唑四氟硼酸盐（[EMIM][BF 4]）中咪唑阳离子C-2位C-D振动的异常红移和谱线变窄，并与其他研究的离子液体进行了比较，结果表明该离子液体在加热时可能存在结构有序。计算研究表明，这种秩序可能会出现由于形成强氢键构象。进一步的红外研究表明，在这种液体中可能存在一个隐藏的过渡，随后通过量热测量证实。
Understanding the temperature-dependent structural evolution of imidazolium-based ionic liquids can facilitate their high-temperature applications. In this manuscript, we report an anomalous redshift and line-narrowing of the C-D vibration at the C-2 position of the imidazolium cation of the ionic liquid, 1-ethyl-3-methylimidazolium tetrafluoroborate ([EMIM][BF4]), when compared to other investigated ionic liquids upon heating suggesting the possibility of structural ordering of this ionic liquid upon heating. Computational studies show that this ordering could arise due to the formation of strong hydrogen bonding conformers. Further infrared studies indicate the existence of a possible hidden transition in this liquid which was subsequently confirmed by calorimetric measurements.