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Vol. 26 No. 22 (2014): Vol 26 Issue 22

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Interaction of Dibromomethylimidazolium Ion with Trihalomethanesulfonates (CX3SO3–, Where X = F, Cl, Br and H): A Model for Organic Ionic Liquids

https://doi.org/10.14233/ajchem.2014.18250A
Seif Muteri
Department of Chemistry, Rabigh College of Science and Arts, King Abdulaziz University, P.O. Box 344 Rabigh 21911, Kingdom of Saudi Arabia
Saied M. Soliman
Department of Chemistry, Rabigh College of Science and Arts, King Abdulaziz University, P.O. Box 344 Rabigh 21911, Kingdom of Saudi Arabia ; Department of Chemistry, Faculty of Science, Alexandria University, Ibrahimia, Alexandria 21321, Egypt
Ali I. Ismail
Department of Chemistry, Rabigh College of Science and Arts, King Abdulaziz University, P.O. Box 344 Rabigh 21911, Kingdom of Saudi Arabia
Mohamed M. Zaid
Department of Chemistry, Rabigh College of Science and Arts, King Abdulaziz University, P.O. Box 344 Rabigh 21911, Kingdom of Saudi Arabia; Department of Environmental and Occupational Medicine, National Research Centre, Cairo12311, Egypt
Abdel-Moneim El Massry
Department of Chemistry, Rabigh College of Science and Arts, King Abdulaziz University, P.O. Box 344 Rabigh 21911, Kingdom of Saudi Arabia
Jamal Lasri
Department of Chemistry, Rabigh College of Science and Arts, King Abdulaziz University, P.O. Box 344 Rabigh 21911, Kingdom of Saudi Arabia

Corresponding Author(s) : Saied M. Soliman

saied1soliman@yahoo.com

Asian Journal of Chemistry, Vol. 26 No. 22 (2014): Vol 26 Issue 22

Abstract

The imidazolium ion is a typical species that is used for providing the cation part in the organic ionic liquid. The DFT calculations on the interaction between dibromomethylimidazolium cation and trihalomethane sulfonates, CX3SO3– where X = F, Cl, Br and H, have been performed. The intermolecular interactions which usually control the properties of these organic liquids were investigated based on DFT calculations. It was found that intramolecular interaction is most favored when X is equal to H. These interactions in the complex units were found to depend on the electrostatic force between the positively charged Br-atoms in the dibromomethylimidazolium and the free O2-atom in the CX3SO3– ion. The overlap between the HOMO of the CX3SO3– as electron-rich Lewis base and the empty LUMO of the dibromomethylimidazolium cation indicates that these interactions are orbitally controlled.

Keywords

Organic ionic liquid DFT Imidazolium cation DFT-MEP
Muteri, S., M. Soliman, S., I. Ismail, A., M. Zaid, M., El Massry, A.-M., & Lasri, J. (2014). Interaction of Dibromomethylimidazolium Ion with Trihalomethanesulfonates (CX3SO3–, Where X = F, Cl, Br and H): A Model for Organic Ionic Liquids. Asian Journal of Chemistry, 26(22), 7863–7866. https://doi.org/10.14233/ajchem.2014.18250A
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