Marija Scheuren, Rachel Sommers, Mairead Boucher, Christiane Carlos, Patrick C. Hillesheim
{"title":"一毛一打:1,2-二甲基咪唑卤化物离子液体的共同结构属性","authors":"Marija Scheuren, Rachel Sommers, Mairead Boucher, Christiane Carlos, Patrick C. Hillesheim","doi":"10.1039/d4nj01422g","DOIUrl":null,"url":null,"abstract":"A homologous series of 1,2-dimethylimidazolium-based ionic liquids with halide anions are examined by Hirshfeld surface analysis to draw out key structural details of the cation, allowing for a deep understanding of the structure and interactions present within this class of ionic liquids. With respect to cation structures, three distinct alkyl torsion angles are noted when examining the compounds currently reported within the structural database. These alkyl chains account for the largest percentage of cation···cation close contacts through a combination of H···H and H···π interactions. Further, the halide-containing crystals are contrasted with a hydrated form of the compounds, allowing for detailed examination of the changes in non-covalent interactions within the asymmetric unit. It is noted that for the hydrated compound, hydrogen bonding interactions between the water molecule and cation replace the anion···cation interactions, accounting, in part, for the lower melting points of these hydrated species.","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":2.7000,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A Dime a Dozen: Common Structural Attributes of 1,2-dimethylimidazolium Halide Ionic Liquids\",\"authors\":\"Marija Scheuren, Rachel Sommers, Mairead Boucher, Christiane Carlos, Patrick C. Hillesheim\",\"doi\":\"10.1039/d4nj01422g\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A homologous series of 1,2-dimethylimidazolium-based ionic liquids with halide anions are examined by Hirshfeld surface analysis to draw out key structural details of the cation, allowing for a deep understanding of the structure and interactions present within this class of ionic liquids. With respect to cation structures, three distinct alkyl torsion angles are noted when examining the compounds currently reported within the structural database. These alkyl chains account for the largest percentage of cation···cation close contacts through a combination of H···H and H···π interactions. Further, the halide-containing crystals are contrasted with a hydrated form of the compounds, allowing for detailed examination of the changes in non-covalent interactions within the asymmetric unit. It is noted that for the hydrated compound, hydrogen bonding interactions between the water molecule and cation replace the anion···cation interactions, accounting, in part, for the lower melting points of these hydrated species.\",\"PeriodicalId\":95,\"journal\":{\"name\":\"New Journal of Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.7000,\"publicationDate\":\"2024-07-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"New Journal of Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1039/d4nj01422g\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"New Journal of Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1039/d4nj01422g","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
A Dime a Dozen: Common Structural Attributes of 1,2-dimethylimidazolium Halide Ionic Liquids
A homologous series of 1,2-dimethylimidazolium-based ionic liquids with halide anions are examined by Hirshfeld surface analysis to draw out key structural details of the cation, allowing for a deep understanding of the structure and interactions present within this class of ionic liquids. With respect to cation structures, three distinct alkyl torsion angles are noted when examining the compounds currently reported within the structural database. These alkyl chains account for the largest percentage of cation···cation close contacts through a combination of H···H and H···π interactions. Further, the halide-containing crystals are contrasted with a hydrated form of the compounds, allowing for detailed examination of the changes in non-covalent interactions within the asymmetric unit. It is noted that for the hydrated compound, hydrogen bonding interactions between the water molecule and cation replace the anion···cation interactions, accounting, in part, for the lower melting points of these hydrated species.