Journal article

Authors list: Lippert, KM; Hof, K; Gerbig, D; Ley, D; Hausmann, H; Guenther, S; Schreiner, PR

Publication year: 2012

Pages: 5919-5927

Journal: European Journal of Organic Chemistry

Volume number: 2012

Issue number: 30

DOI Link: https://doi.org/10.1002/ejoc.201200739

Publisher: Wiley

Abstract: 

We present evidence that the privileged use of the
3,5‐bis(trifluoromethyl)phenyl group in thiourea organocatalysis is due
to the involvement of the ortho‐CH bond in the binding event with
Lewis‐basic sites. We utilized a combination of low‐temperature IR
spectroscopy, 2D NMR spectroscopy, nano‐MS (ESI) investigations, as well
as density functional theory computations [M06/6‐31+G(d,p),
including solvent corrections as well as natural bond orbital and
atoms‐in‐molecules analyses] to support our conclusions that bear
implications for catalyst design.

Harvard Citation style: Lippert, K., Hof, K., Gerbig, D., Ley, D., Hausmann, H., Guenther, S., et al. (2012) Hydrogen‐Bonding Thiourea Organocatalysts: The Privileged 3,5‐Bis(trifluoromethyl)phenyl Group, European Journal of Organic Chemistry, 2012(30), pp. 5919-5927. https://doi.org/10.1002/ejoc.201200739

APA Citation style: Lippert, K., Hof, K., Gerbig, D., Ley, D., Hausmann, H., Guenther, S., & Schreiner, P. (2012). Hydrogen‐Bonding Thiourea Organocatalysts: The Privileged 3,5‐Bis(trifluoromethyl)phenyl Group. European Journal of Organic Chemistry. 2012(30), 5919-5927. https://doi.org/10.1002/ejoc.201200739