Microstructures and molecular interactions of a double salt ionic liquid system: 1-Butyl-3-methylimidazolium tetrafluoroborate + N,N-diethyl-2-methoxy-N-methylethanaminium bis(trifluoromethylsulfonyl)imide

IF 5.3 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Liquids Pub Date : 2025-02-07 DOI:10.1016/j.molliq.2025.127111

Shuyan Liu , Rui Zhao , Xiuyu Du , Zhiwu Yu , Yu Zhou

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引用次数: 0

Abstract

The double salt ionic liquids (DSILs) are garnering increasing attention due to their unique properties. DSILs are not simple mixtures of two ionic liquids, and each DSIL possesses distinct characteristics. Despite their potential, the molecular interactions within DSILs remain underexplored, highlighting the need for further investigation to enrich foundational knowledge and foster new methodologies and applications. This work studied the structures and molecular interactions of 1-butyl-3-methylimidazolium tetrafluoroborate (BMIMBF₄) and N,N-diethyl-2-methoxy-N-methylethanaminium bis(trifluoromethylsulfonyl)imide (DEMETFSI) DSILs through spectroscopic and theoretical methods. The cis- and trans-configurations of [TFSI]⁻ were analyzed by Raman spectroscopy. Detailed vibrational analyses in the region of v(imidazolium ring C–H) and the region of v(S=O) were performed. Interaction complexes between BMIMBF₄ and DEMETFSI were identified using excess infrared spectroscopy, and quantum chemical calculations were performed to investigate these complexes. The possible interactions between the complexes in the DSILs were determined and the changes in the interactions were revealed.

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来源期刊

Journal of Molecular Liquids 化学-物理：原子、分子和化学物理

CiteScore

10.30

自引率

16.70%

发文量

2597

审稿时长

78 days

期刊介绍： The journal includes papers in the following areas: – Simple organic liquids and mixtures – Ionic liquids – Surfactant solutions (including micelles and vesicles) and liquid interfaces – Colloidal solutions and nanoparticles – Thermotropic and lyotropic liquid crystals – Ferrofluids – Water, aqueous solutions and other hydrogen-bonded liquids – Lubricants, polymer solutions and melts – Molten metals and salts – Phase transitions and critical phenomena in liquids and confined fluids – Self assembly in complex liquids.– Biomolecules in solution The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include: – Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.) – Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.) – Light scattering (Rayleigh, Brillouin, PCS, etc.) – Dielectric relaxation – X-ray and neutron scattering and diffraction. Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.