DFT study of 1,4-diazabicyclo[2.2.2]octane (DABCO) based ionic liquids: Effect of alkyl chain and anion types
This study examines how 1,4-diazabicyclo[2.2.2]octane (DABCO) interacts with different anions and alkyl chain lengths ([CnDABCO+][X¯], where n = 0, 1, 2, or 3, and X = Cl¯, Br¯, PF6¯, or BF4¯). We used Density Functional Theory (DFT) with the 6–311++G(d,p) basis set for geometry optimization and ele...
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| Hoofdauteurs: | , |
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| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
Elsevier
2025-05-01
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| Reeks: | Results in Chemistry |
| Onderwerpen: | |
| Online toegang: | http://www.sciencedirect.com/science/article/pii/S2211715625002681 |
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