@article{ca7808a834bf40c4b20d8dd642ed3e19,
title = "Improving phase-transfer catalysis by enhancing non-covalent interactions",
abstract = "A wide variety of asymmetric transformations catalysed by chiral catalysts have been developed for the synthesis of valuable organic compounds in the past several decades. Within the asymmetric catalysis field, phase-transfer catalysis has been recognized as a powerful method for establishing useful procedures for organic synthesis. In the present study intermolecular interactions between a well-known alkaloid quinine-derived phase transfer catalyst and four different anions were characterised, analysing the competition between the pure ion-pair interaction and the intermolecular hydrogen bond established upon complexation. Finally, a theoretical study of the free-energy profile corresponding to the enantioselective conjugate cyanation of an α,β-unsaturated ketone in the presence of two different catalysts was performed.",
author = "I{\~n}igo Iribarren and Cristina Trujillo",
note = "Funding Information: Cristina obtained her PhD (Cum Laude) in Theoretical and Comput- ational Chemistry in 2008 at Universidad Aut{\'o}noma de Madrid (UAM). During 2008–2016, she has held several postdoctoral positions in Spain, Prague and Ireland. She joined Trinity College Dublin in 2019 being awarded with a Science Foundation of Ireland-Starting Investigator Research Grant. She has received the 2019 L{\textquoteright}Or{\'e}al- UNESCO for Women in Science UK and an Ireland Highly Commended certificate. She has expertise in fundamental topics within Computational Organic Chemistry. Cristina{\textquoteright}s research group investigates the application of computational techniques in the design of organocatalysts, as well as the prediction and control of catalytic processes. Publisher Copyright: {\textcopyright} the Owner Societies.",
year = "2020",
month = oct,
day = "7",
doi = "10.1039/d0cp02012e",
language = "English",
volume = "22",
pages = "21015--21021",
journal = " Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "37",
}