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不同结构组成的咪唑基离子液体中氨溶解度的对比研究。

A comparative study of ammonia solubility in imidazolium-based ionic liquids with different structural compositions.

作者信息

Salman Muhammad, Lee Ji Won, Lee Sang Hyuk, Lee Min Ho, Pham Van Duc, Kim Min-Sik, Cho Daeheum, Lee Hye Jin

机构信息

Department of Chemistry and Green-Nano Materials Research Center, Kyungpook National University, 80 Daehakro, Buk-gu, Daegu-city, 41566, Republic of Korea.

Department of New Biology, DGIST, Daegu, 42988, Republic of Korea.

出版信息

Heliyon. 2024 Jan 6;10(2):e24305. doi: 10.1016/j.heliyon.2024.e24305. eCollection 2024 Jan 30.

DOI:10.1016/j.heliyon.2024.e24305
PMID:38293395
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10826666/
Abstract

Four imidazolium-based ionic liquids (ILs) with two cations 1-pentyl-3-butylimidazolium [PBIM] and 1-benzyl-3-butylimidazolium tetrafluoroborate [BzBIM], and two anions tetrafluoroborate (BF) and trifluoromethanesulfonate (OTf) were synthesized for NH solubility enhancement. The structural, thermal, and electrochemical stabilities, ionic conductivity, and viscosity of the four ILs, namely, [PBIM]BF, [BzBIM]BF, [PBIM]OTf, and [BzBIM]OTf, were investigated. Due to the intermolecular interaction of the benzyl group attached to the imidazolium ring, [BzBIM]-based ILs exhibited higher thermal stability but lower ionic conductivity compared to [PBIM]-based ILs. Further, the NH solubility in all ILs was measured using a custom-made setup at temperatures ranging from 293.15 to 323.15 K and pressures ranging from 1 to 5 bar. The effects of the cation and anion structures of ILs, as well as pressure and temperature, on the NH solubility in the ILs were also investigated. [PBIM]BF showed the best solubility because of its high free volume and low viscosity. Density functional calculations validated the superior NH solubility in [PBIM]BF, attributable to the minimal reorganization of the [cation]anion complex geometry during the solvation process, yielding a low solvation free energy. The findings of this study suggest that ILs exhibit a high NH solubility capacity and cation and anion structures considerably affect the NH solubility in ILs.

摘要

合成了四种基于咪唑鎓的离子液体（ILs），它们具有两种阳离子1-戊基-3-丁基咪唑鎓[PBIM]和1-苄基-3-丁基咪唑鎓四氟硼酸盐[BzBIM]，以及两种阴离子四氟硼酸盐（BF）和三氟甲磺酸盐（OTf），用于提高NH的溶解度。研究了四种离子液体[PBIM]BF、[BzBIM]BF、[PBIM]OTf和[BzBIM]OTf的结构、热稳定性和电化学稳定性、离子电导率和粘度。由于连接在咪唑环上的苄基的分子间相互作用,与基于[PBIM]的离子液体相比，基于[BzBIM]的离子液体表现出更高的热稳定性，但离子电导率较低。此外，使用定制装置在293.15至323.15 K的温度范围和1至5 bar的压力范围内测量了所有离子液体中NH的溶解度。还研究了离子液体的阳离子和阴离子结构以及压力和温度对离子液体中NH溶解度的影响。[PBIM]BF由于其高自由体积和低粘度而表现出最佳的溶解度。密度泛函计算验证了[PBIM]BF中优异的NH溶解度，这归因于在溶剂化过程中[阳离子]阴离子络合物几何结构的最小重组，产生了低溶剂化自由能。本研究结果表明，离子液体表现出高的NH溶解能力，阳离子和阴离子结构对离子液体中NH的溶解度有很大影响。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/5ab8a0256444/gr9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/49221e266078/ga1.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/7794bd80a35d/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/6f79776426ea/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/9d3e2c015d4a/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/cf843feca339/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/acf500ca4f4f/gr6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/d17c7adca683/gr7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/b1072456124d/gr8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/5ab8a0256444/gr9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/49221e266078/ga1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/337212629a55/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/7794bd80a35d/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/6f79776426ea/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/9d3e2c015d4a/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/cf843feca339/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/acf500ca4f4f/gr6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/d17c7adca683/gr7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/b1072456124d/gr8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac1b/10826666/5ab8a0256444/gr9.jpg

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