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Elucidating structure-property relationships in imidazolium-based halide ionic liquids: crystal structures and thermal behavior
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).ORCID iD: 0000-0003-0763-1457
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).ORCID iD: 0000-0002-2800-1684
Number of Authors: 42020 (English)In: Zeitschrift für Kristallographie - Crystalline Materials, ISSN 2194-4946, Vol. 235, no 8-9, p. 365-374Article in journal (Refereed) Published
Abstract [en]

A set of imidazolium-based ionic liquids (ILs), 1-(2-hydroxyethyl)-3-methylimidazolium chloride (1), 1,3-bis-(2-hydroxyethyl)-imidazolium chloride (2), and 1-butyl-2,3,4,5-tetramethylimidazolium bromide (3), has been synthesized and their structural and thermal behavior studied. Organic halides are well-known IL formers with imidazolium halides being the most prominent ones. Functionalization of the imidazolium cation by enhancing its hydrogen bonding capacity, i.e. through introduction of -OH groups or by diminishing it, i.e. through substitution of the ring hydrogen atoms by methyl groups is expected to change the inter-ionic interactions. Consequently, the solid-state structures of 1-3 have been characterized with means of single X-ray diffraction to shed light on preferential inter-ionic interactions for obtaining valuable information on anti-crystal engineering, i.e. designing ion combinations that favor a low melting point and exhibit a low tendency for crystallization. The study reveals that endowing IL forming ions with an enhanced hydrogen bonding capacity leads to a depression in melting points and kinetically hinders crystallization. This study provides hints towards new design concepts for IL design, similar to the common strategy of employing conformationally flexible ions.

Place, publisher, year, edition, pages
2020. Vol. 235, no 8-9, p. 365-374
Keywords [en]
crystal structure, imidazolium, ionic liquids, thermal analysis
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:su:diva-187713DOI: 10.1515/zkri-2020-0046ISI: 000574564400014OAI: oai:DiVA.org:su-187713DiVA, id: diva2:1510947
Available from: 2020-12-17 Created: 2020-12-17 Last updated: 2022-03-23Bibliographically approved

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Dorn, KatharinaSmetana, VolodymyrMudring, Anja-Verena

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