scholarly journals Investigating Solvent Effects of an Ionic Liquid on Pericyclic Reactions through Kinetic Analyses of Simple Rearrangements

ChemPlusChem ◽  
2017 ◽  
Vol 82 (3) ◽  
pp. 449-457 ◽  
Author(s):  
Sinead T. Keaveney ◽  
Ronald S. Haines ◽  
Jason B. Harper
2019 ◽  
Vol 368 ◽  
pp. 649-658 ◽  
Author(s):  
Andreas Ohligschläger ◽  
Christoph Gertig ◽  
Dario Coenen ◽  
Sebastian Brosch ◽  
Dzmitry Firaha ◽  
...  

2015 ◽  
Vol 17 (13) ◽  
pp. 8480-8490 ◽  
Author(s):  
Volker Lesch ◽  
Andreas Heuer ◽  
Christian Holm ◽  
Jens Smiatek

We study the solvation properties of the ionic liquid 1-ethyl-3-methylimidazolium acetate ([eMIM]+[ACE]−) and the resulting dynamic behavior for differently charged model solutes at room temperature via atomistic molecular dynamics (MD) simulations of 500 ns length.


2017 ◽  
Vol 15 (26) ◽  
pp. 5556-5563 ◽  
Author(s):  
William E. S. Hart ◽  
Leigh Aldous ◽  
Jason B. Harper

An ionic liquid is used to facilitate ether cleavage without the presence of side reactions; the microscopic origins of the solvent effects are examined. Controlled cleavage of this kind of ether is relevant in the fractionation of lignin.


2003 ◽  
Vol 107 (46) ◽  
pp. 12797-12807 ◽  
Author(s):  
Vesna Najdanovic-Visak ◽  
José M. S. S. Esperança ◽  
Luís P. N. Rebelo ◽  
Manuel Nunes da Ponte ◽  
Henrique J. R. Guedes ◽  
...  
Keyword(s):  

2017 ◽  
Vol 89 (6) ◽  
pp. 745-757 ◽  
Author(s):  
Sinead T. Keaveney ◽  
Ronald S. Haines ◽  
Jason B. Harper

AbstractIonic 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.


2014 ◽  
Vol 4 (2) ◽  
pp. 447-455 ◽  
Author(s):  
Reza Vatan Meidanshahi ◽  
Mahboubeh Tasviri ◽  
Mohammad Khodadadi-Moghaddam ◽  
Mohammad Reza Gholami
Keyword(s):  

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