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Ionic liquid solvents: The importance of microscopic interactions in predicting organic reaction outcomes

Conference Paper


Abstract


  • Ionic liquids are attractive alternatives to molecular solvents as they have many favourable physical properties and can produce different organic reaction outcomes compared to molecular solvents. Thus far, interactions between the ionic liquid components and specific sites (such as charged centres, lone pairs and π systems) on the reagents and transition state have been identified as affecting reaction outcome; a comprehensive understanding of these interactions is necessary to allow prediction of ionic liquid solvent effects. This manuscript summarises our recent progress in the development of a framework for predicting the effect of an ionic liquid solvent on the outcome of organic processes. There will be a particular focus on the importance of the different interactions between the ionic liquid components and the species along the reaction coordinate that are responsible for the changes in reaction outcome observed in the cases described.

Publication Date


  • 2017

Citation


  • Keaveney, S. T., Haines, R. S., & Harper, J. B. (2017). Ionic liquid solvents: The importance of microscopic interactions in predicting organic reaction outcomes. In Pure and Applied Chemistry Vol. 89 (pp. 745-757). doi:10.1515/pac-2016-1008

Scopus Eid


  • 2-s2.0-85020526222

Start Page


  • 745

End Page


  • 757

Volume


  • 89

Issue


  • 6

Abstract


  • Ionic liquids are attractive alternatives to molecular solvents as they have many favourable physical properties and can produce different organic reaction outcomes compared to molecular solvents. Thus far, interactions between the ionic liquid components and specific sites (such as charged centres, lone pairs and π systems) on the reagents and transition state have been identified as affecting reaction outcome; a comprehensive understanding of these interactions is necessary to allow prediction of ionic liquid solvent effects. This manuscript summarises our recent progress in the development of a framework for predicting the effect of an ionic liquid solvent on the outcome of organic processes. There will be a particular focus on the importance of the different interactions between the ionic liquid components and the species along the reaction coordinate that are responsible for the changes in reaction outcome observed in the cases described.

Publication Date


  • 2017

Citation


  • Keaveney, S. T., Haines, R. S., & Harper, J. B. (2017). Ionic liquid solvents: The importance of microscopic interactions in predicting organic reaction outcomes. In Pure and Applied Chemistry Vol. 89 (pp. 745-757). doi:10.1515/pac-2016-1008

Scopus Eid


  • 2-s2.0-85020526222

Start Page


  • 745

End Page


  • 757

Volume


  • 89

Issue


  • 6