{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,14]],"date-time":"2025-10-14T07:15:14Z","timestamp":1760426114410,"version":"build-2065373602"},"reference-count":72,"publisher":"MDPI AG","issue":"5","license":[{"start":{"date-parts":[[2023,2,23]],"date-time":"2023-02-23T00:00:00Z","timestamp":1677110400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Funda\u00e7\u00e3o para a Ci\u00eancia e Tecnologia","award":["IST-ID\/93\/2018","IST-ID\/100\/2018","UIDB\/00100\/2020","LA\/P\/0056\/2020","PTDC\/QUI-QFI\/29527\/2017"],"award-info":[{"award-number":["IST-ID\/93\/2018","IST-ID\/100\/2018","UIDB\/00100\/2020","LA\/P\/0056\/2020","PTDC\/QUI-QFI\/29527\/2017"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>The functionalization of polymers with sulfonate groups has many important uses, ranging from biomedical applications to detergency properties used in oil-recovery processes. In this work, several ionic liquids (ILs) combining 1-alkyl-3-methylimidazolium cations [CnC1im]+ (4 \u2264 n \u2264 8) with alkyl-sulfonate anions [CmSO3]\u2212 (4 \u2264 m \u2264 8) have been studied using molecular dynamics simulations, totalizing nine ionic liquids belonging to two homologous series. The radial distribution functions, structure factors, aggregation analyses, and spatial distribution functions reveal that the increase in aliphatic chain length induces no significant change in the structure of the polar network of the ILs. However, for imidazolium cations and sulfonate anions with shorter alkyl chains, the nonpolar organization is conditioned by the forces acting on the polar domains, namely, electrostatic interactions and hydrogen bonding.<\/jats:p>","DOI":"10.3390\/molecules28052094","type":"journal-article","created":{"date-parts":[[2023,2,24]],"date-time":"2023-02-24T01:37:52Z","timestamp":1677202672000},"page":"2094","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["The Nanostructure of Alkyl-Sulfonate Ionic Liquids: Two 1-Alkyl-3-methylimidazolium Alkyl-Sulfonate Homologous Series"],"prefix":"10.3390","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0096-9789","authenticated-orcid":false,"given":"Hugo","family":"Marques","sequence":"first","affiliation":[{"name":"Centro de Qu\u00edmica Estrutural, Institute of Molecular Sciences, Instituto Superior T\u00e9cnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa, Portugal"}]},{"given":"Jos\u00e9 Nuno","family":"Canongia Lopes","sequence":"additional","affiliation":[{"name":"Centro de Qu\u00edmica Estrutural, Institute of Molecular Sciences, Instituto Superior T\u00e9cnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6119-9602","authenticated-orcid":false,"given":"Adilson Alves","family":"de Freitas","sequence":"additional","affiliation":[{"name":"Centro de Qu\u00edmica Estrutural, Institute of Molecular Sciences, Instituto Superior T\u00e9cnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2454-1795","authenticated-orcid":false,"given":"Karina","family":"Shimizu","sequence":"additional","affiliation":[{"name":"Centro de Qu\u00edmica Estrutural, Institute of Molecular Sciences, Instituto Superior T\u00e9cnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa, Portugal"}]}],"member":"1968","published-online":{"date-parts":[[2023,2,23]]},"reference":[{"key":"ref_1","first-page":"349","article-title":"Self-Organization in Ionic Liquids: From Bulk to Interfaces and Films","volume":"27","author":"Shimizu","year":"2016","journal-title":"J. Braz. Chem. Soc."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"23864","DOI":"10.1039\/C8CP03831G","article-title":"Molecular dynamics studies on the structure and interactions of ionic liquids containing amino-acid anions","volume":"20","author":"Ruivo","year":"2018","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"13082","DOI":"10.1021\/jp076271e","article-title":"Mutual Solubilities of Water and Hydrophobic Ionic Liquids","volume":"111","author":"Freire","year":"2007","journal-title":"J. Phys. Chem. 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