Intermolecular Interactions in Mixed Choline Acetate and Maleic Acid Systems
Mixed systems based on ionic liquids are promising innovative solvents due to their properties, which are strictly connected to the interactions that arise among the components. The present work investigates the intermolecular interactions of a mixed choline acetate and maleic acid system and their...
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2024-12-01
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| author | Simone Di Muzio Annalisa Paolone Francesco Trequattrini Oriele Palumbo |
| author_facet | Simone Di Muzio Annalisa Paolone Francesco Trequattrini Oriele Palumbo |
| author_sort | Simone Di Muzio |
| collection | DOAJ |
| description | Mixed systems based on ionic liquids are promising innovative solvents due to their properties, which are strictly connected to the interactions that arise among the components. The present work investigates the intermolecular interactions of a mixed choline acetate and maleic acid system and their modifications with increasing acid content. MM/DFT calculations provided indications about the possible geometric configurations of the systems while Non-Covalent Interaction analysis was useful to describe and distinguish secondary interactions. The number of available configurations decreases at high acid concentration. Moreover, intramolecular hydrogen bonding was observed in all configurations except that in the most stable one of the lowest acid content mixture. Concomitantly, far-infrared spectroscopy was used to investigate intermolecular interactions and provided support to the computational results. |
| format | Article |
| id | doaj-art-97d25fdb564449fab84087a1b69366ff |
| institution | Kabale University |
| issn | 2076-3417 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Applied Sciences |
| spelling | doaj-art-97d25fdb564449fab84087a1b69366ff2024-12-13T16:23:48ZengMDPI AGApplied Sciences2076-34172024-12-0114231140210.3390/app142311402Intermolecular Interactions in Mixed Choline Acetate and Maleic Acid SystemsSimone Di Muzio0Annalisa Paolone1Francesco Trequattrini2Oriele Palumbo3Istituto dei Sistemi Complessi, Consiglio Nazionale delle Ricerche, P.le Aldo Moro 5, 00185 Rome, ItalyIstituto dei Sistemi Complessi, Consiglio Nazionale delle Ricerche, P.le Aldo Moro 5, 00185 Rome, ItalyIstituto dei Sistemi Complessi, Consiglio Nazionale delle Ricerche, P.le Aldo Moro 5, 00185 Rome, ItalyIstituto dei Sistemi Complessi, Consiglio Nazionale delle Ricerche, P.le Aldo Moro 5, 00185 Rome, ItalyMixed systems based on ionic liquids are promising innovative solvents due to their properties, which are strictly connected to the interactions that arise among the components. The present work investigates the intermolecular interactions of a mixed choline acetate and maleic acid system and their modifications with increasing acid content. MM/DFT calculations provided indications about the possible geometric configurations of the systems while Non-Covalent Interaction analysis was useful to describe and distinguish secondary interactions. The number of available configurations decreases at high acid concentration. Moreover, intramolecular hydrogen bonding was observed in all configurations except that in the most stable one of the lowest acid content mixture. Concomitantly, far-infrared spectroscopy was used to investigate intermolecular interactions and provided support to the computational results.https://www.mdpi.com/2076-3417/14/23/11402hydrogen bondingcholine acetatemaleic acidMM/DFT calculationinfrared spectroscopy |
| spellingShingle | Simone Di Muzio Annalisa Paolone Francesco Trequattrini Oriele Palumbo Intermolecular Interactions in Mixed Choline Acetate and Maleic Acid Systems Applied Sciences hydrogen bonding choline acetate maleic acid MM/DFT calculation infrared spectroscopy |
| title | Intermolecular Interactions in Mixed Choline Acetate and Maleic Acid Systems |
| title_full | Intermolecular Interactions in Mixed Choline Acetate and Maleic Acid Systems |
| title_fullStr | Intermolecular Interactions in Mixed Choline Acetate and Maleic Acid Systems |
| title_full_unstemmed | Intermolecular Interactions in Mixed Choline Acetate and Maleic Acid Systems |
| title_short | Intermolecular Interactions in Mixed Choline Acetate and Maleic Acid Systems |
| title_sort | intermolecular interactions in mixed choline acetate and maleic acid systems |
| topic | hydrogen bonding choline acetate maleic acid MM/DFT calculation infrared spectroscopy |
| url | https://www.mdpi.com/2076-3417/14/23/11402 |
| work_keys_str_mv | AT simonedimuzio intermolecularinteractionsinmixedcholineacetateandmaleicacidsystems AT annalisapaolone intermolecularinteractionsinmixedcholineacetateandmaleicacidsystems AT francescotrequattrini intermolecularinteractionsinmixedcholineacetateandmaleicacidsystems AT orielepalumbo intermolecularinteractionsinmixedcholineacetateandmaleicacidsystems |