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离子孪晶纳米结构比较:丁酸丙铵与丙酸丁铵及其与水的相互作用

Ionic Twin Nanostructural Comparison: Propylammonium Butanoate vs. Butylammonium Propanoate and Their Interactions with Water.

作者信息

Salma Umme, Plechkova Natalia V, Gontrani Lorenzo, Carbone Marilena

机构信息

CNR NANOTEC-Institute of Nanotechnology, Via per Monteroni, 73100 Lecce, Italy.

Wellcome-Wolfson Institute for Experimental Medicine, The Queen's University of Belfast, 97 Lisburn Road, Belfast BT9 7BL, UK.

出版信息

Materials (Basel). 2024 Aug 16;17(16):4071. doi: 10.3390/ma17164071.

DOI:10.3390/ma17164071
PMID:39203249
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11356222/
Abstract

This study investigates the nanostructure of two protic ionic liquids (PILs), [N][CCO] and [N][CCO], with similar polar head groups but varying alkyl chain lengths. An X-ray scattering technique and molecular dynamics simulations have been utilized to characterize the bulk and interfacial properties of these PILs. The findings suggest that the nanostructure of the PILs is primarily determined by the electrostatic forces between charged functional groups playing a dominant role. Despite differences in the alkyl chain lengths, the PILs possess remarkably similar nanostructures. Extending our investigation, we report the impact of water on the nanostructure. Our findings reveal that the addition of water disrupts interactions between cations and anions, weakening Coulombic forces. The disruptive behavior is attributed to the establishment of hydrogen bonds between water and ions. This comprehensive approach provides valuable insights into the nuanced factors shaping the nanostructure of these PILs, which are crucial for tailoring their applications in synthetic chemistry, catalysis, and beyond.

摘要

本研究考察了两种质子离子液体(PILs)[N][CCO]和[N][CCO]的纳米结构,它们具有相似的极性头基,但烷基链长度不同。利用X射线散射技术和分子动力学模拟来表征这些PILs的本体和界面性质。研究结果表明,PILs的纳米结构主要由带电官能团之间起主导作用的静电力决定。尽管烷基链长度存在差异,但这些PILs具有非常相似的纳米结构。进一步开展研究,我们报告了水对纳米结构的影响。我们的研究结果表明,水的加入破坏了阳离子和阴离子之间的相互作用,削弱了库仑力。这种破坏行为归因于水与离子之间形成了氢键。这种综合方法为塑造这些PILs纳米结构的细微因素提供了有价值的见解,这对于在合成化学、催化等领域定制其应用至关重要。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb2a/11356222/b60c94185d09/materials-17-04071-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb2a/11356222/cbe5d2acc86c/materials-17-04071-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb2a/11356222/664f65b714d9/materials-17-04071-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb2a/11356222/d8cfdfaf445a/materials-17-04071-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb2a/11356222/b8c87b2211b8/materials-17-04071-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb2a/11356222/f964e781dea4/materials-17-04071-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb2a/11356222/ed05362f91d3/materials-17-04071-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb2a/11356222/a7fe5a7867a2/materials-17-04071-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb2a/11356222/b60c94185d09/materials-17-04071-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb2a/11356222/cbe5d2acc86c/materials-17-04071-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb2a/11356222/664f65b714d9/materials-17-04071-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb2a/11356222/d8cfdfaf445a/materials-17-04071-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb2a/11356222/b8c87b2211b8/materials-17-04071-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb2a/11356222/f964e781dea4/materials-17-04071-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb2a/11356222/ed05362f91d3/materials-17-04071-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb2a/11356222/a7fe5a7867a2/materials-17-04071-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb2a/11356222/b60c94185d09/materials-17-04071-g008.jpg

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How Does Nanostructure in Ionic Liquids and Hybrid Solvents Affect Surfactant Self-Assembly?
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TRAVIS-A free analyzer for trajectories from molecular simulation.TRAVIS - 一款用于分子模拟轨迹的免费分析工具。
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