Bibliographic Details
| Title: |
The Nanostructure of Alkyl-Sulfonate Ionic Liquids: Two 1-Alkyl-3-methylimidazolium Alkyl-Sulfonate Homologous Series |
| Authors: |
Hugo Marques, José Nuno Canongia Lopes, Adilson Alves de Freitas, Karina Shimizu |
| Source: |
Molecules, Vol 28, Iss 5, p 2094 (2023) |
| Publisher Information: |
MDPI AG, 2023. |
| Publication Year: |
2023 |
| Collection: |
LCC:Organic chemistry |
| Subject Terms: |
sulfonate, odd–even effect, molecular dynamics, nanostructure, coiling, Organic chemistry, QD241-441 |
| More Details: |
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 ≤ n ≤ 8) with alkyl-sulfonate anions [CmSO3]− (4 ≤ m ≤ 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. |
| Document Type: |
article |
| File Description: |
electronic resource |
| Language: |
English |
| ISSN: |
1420-3049 |
| Relation: |
https://www.mdpi.com/1420-3049/28/5/2094; https://doaj.org/toc/1420-3049 |
| DOI: |
10.3390/molecules28052094 |
| Access URL: |
https://doaj.org/article/756fbb01b3074b958e83537fe57687fc |
| Accession Number: |
edsdoj.756fbb01b3074b958e83537fe57687fc |
| Database: |
Directory of Open Access Journals |
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