Details

Autor(en) / Beteiligte

• Cardoso Gomes, Guelber
• Ferdeghini, Claudio
• Guglielmero, Luca
• D'Andrea, Felicia
• Guazzelli, Lorenzo
• Mezzetta, Andrea
• Pomelli, Christian Silvio

Titel

A Combined Experimental/Computational Study of Dicationic Ionic Liquids with Bromide and Tungstate Anions

Ist Teil von

• Molecules (Basel, Switzerland), 2024-05, Vol.29 (9), p.2131

Ort / Verlag

Switzerland: MDPI AG

Erscheinungsjahr

2024

Link zum Volltext

Quelle

EZB Free E-Journals

Beschreibungen/Notizen

• A panel of dicationic ionic liquids (DILs) with different rigid xylyl (ortho, meta, para) spacers and different anions (bromide and tungstate) has been synthetised and characterised through different experimental and computational techniques. Differences and analogies between the systems are analysed using information derived from their DFT structures, semiempirical dynamics, thermal behaviour, and catalytic properties versus the well-known reaction of CO added to epichlorohydrin. A comparison between the proposed systems and some analogues that present non-rigid spacers shows the key effect displayed by structure rigidity on their characteristics. The results show an interesting correlation between structure, flexibility, properties, and catalytic activity.