Ionic liquid effects on nucleophilic aromatic substitution reactions from QM/MM simulations.
- Caley Allen, Billy W McCann, Orlando Acevedo
- The journal of physical chemistry. B
- 2015
Claisen rearrangements: insight into solvent effects and "on water" reactivity from QM/MM simulations.
- Published 2010 in Journal of the American Chemical Society
Abstract
An "on water" environment, defined by the absence of water solubility of the reactants, has been reported to provide increased rate accelerations, yields, and specificity for several types of organic reaction classes compared to organic solvents. The aromatic Claisen rearrangements of allyl p-R-phenyl ethers (R = CH(3), Br, and OCH(3)) and allyl naphthyl… (More)