Product Details of 65039-09-0《Do certain imidazolium-based ionic liquid ion pairs/mordenite capture H2S by conformational traps? An ONIOM-DFT study》 was published in 2022. The authors were Izquierdo, Rodolfo;Chacon, Gustavo;Cubillan, Nestor;Stassen, Hubert, and the article was included in《Microporous and Mesoporous Materials》. The author mentioned the following in the article:
We present detailed ONIOM(ωB97X-D:PM6) calculations for the formation mechanism of novel composites combining protonic mordenites (H-MOR) with various ionic liquids: 1,3-dimethyl-imidazolium chloride [MMIm]Cl, 1-ethyl-3-methyl-imidazolium chloride [EMIm]Cl; 1-methyl-3-propyl-imidazolium chloride [PMIm]Cl; 1-butyl-3-methyl-imidazolium chloride [BMIm]Cl, 1-(2-hydroxyethyl)-3-methyl-imidazolium chloride [HEMIm]Cl, 1,3-dimethyl-1,3,2-diazasilolium chloride [MMSiN]Cl, and 1,3-dimethyl-1,3-diphospholium chloride [MMPP]Cl. The most feasible [M]-MOR formation mechanism ([M]+ = [MMIm]+, [EMIm]+, [PMIm]+, [BMIm]+, [HEMIm]+, [MMSiN]+ [MMPP]+) involves an ion exchange at the T4O10 position favoring the isolation of a minimal number of [M]+ isomers (i.e., conformational traps). The interaction of these [M]-MOR composites with pollutant gases has afterward been evaluated. Among the studied systems, [EMIm]-MOR and [HEMIm]-MOR present electronic and steric conditions for potential applications in gas separation, capture, and storage (H2 and H2S). The H-MOR framework exhibits two structural conformers with the [HEMIm]+ cation in the confined space. Both, the MOR-T4O10-[HEMIm] and MOR-T4O10-[HEMIm]HB conformers, interconvert by a dynamic equilibrium with a transition state MOR-T4O10-TS1 acting as a conformational switch (Image 1-Image 2) that selectively recognizes and captures H2S through a plier-like conformation. The experimental procedure involved many compounds, such as 1-Ethyl-3-methyl-1H-imidazol-3-ium chloride (cas: 65039-09-0) .
1-Ethyl-3-methyl-1H-imidazol-3-ium chloride(cas: 65039-09-0) is an imidazolium chloride ionic liquid that can be used as:a starting material for the preparation of 1-ethyl-3-methylimidazolium chloride/tetrafluoroborate (EMI.Cl.BF4) molten salt for electrochemical studies; a solvent as well as catalyst for the depolymerization of oak wood lignin.Product Details of 65039-09-0
Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem