Exploiting non-covalent π interactions for catalyst design

AJ Neel, MJ Hilton, MS Sigman, FD Toste - Nature, 2017 - nature.com
Molecular recognition, binding and catalysis are often mediated by non-covalent interactions
involving aromatic functional groups. Although the relative complexity of these so-called π …

[PDF][PDF] Towards understanding π-stacking interactions between non-aromatic rings

K Molčanov, B Kojić-Prodić - IUCrJ, 2019 - journals.iucr.org
The first systematic study of π interactions between non-aromatic rings, based on the
authors' own results from an experimental X-ray charge-density analysis assisted by …

Dual electrocatalysis enables enantioselective hydrocyanation of conjugated alkenes

L Song, N Fu, BG Ernst, WH Lee, MO Frederick… - Nature …, 2020 - nature.com
Chiral nitriles and their derivatives are prevalent in pharmaceuticals and bioactive
compounds. Enantioselective alkene hydrocyanation represents a convenient and efficient …

Toward a more complete understanding of noncovalent interactions involving aromatic rings

SE Wheeler, JWG Bloom - The journal of physical chemistry A, 2014 - ACS Publications
Noncovalent interactions involving aromatic rings, which include π-stacking interactions,
anion-π interactions, and XH− π interactions, among others, are ubiquitous in chemical and …

Engineered non-covalent π interactions as key elements for chiral recognition

MY Jin, Q Zhen, D Xiao, G Tao, X Xing, P Yu… - Nature …, 2022 - nature.com
Molecular recognition and self-assembly are often mediated by intermolecular forces
involving aromatic π-systems. Despite the ubiquity of such interactions in biological systems …

London dispersion interactions rather than steric hindrance determine the enantioselectivity of the Corey–Bakshi–Shibata reduction

C Eschmann, L Song, PR Schreiner - Angewandte Chemie, 2021 - Wiley Online Library
Abstract The well‐known Corey–Bakshi–Shibata (CBS) reduction is a powerful method for
the asymmetric synthesis of alcohols from prochiral ketones, often featuring high yields and …

Tuning the adsorption-induced phase change in the flexible metal–organic framework Co (bdp)

MK Taylor, T Runčevski, J Oktawiec… - Journal of the …, 2016 - ACS Publications
Metal–organic frameworks that flex to undergo structural phase changes upon gas
adsorption are promising materials for gas storage and separations, and achieving synthetic …

Mechanism and origins of chemo-and stereoselectivities of aryl iodide-catalyzed asymmetric difluorinations of β-substituted styrenes

B Zhou, MK Haj, EN Jacobsen, KN Houk… - Journal of the American …, 2018 - ACS Publications
The mechanism of the aryl iodide-catalyzed asymmetric migratory geminal difluorination of β-
substituted styrenes (Banik et al. Science 2016, 353, 51) has been explored with density …

Predicting the strength of stacking interactions between heterocycles and aromatic amino acid side chains

AN Bootsma, AC Doney… - Journal of the American …, 2019 - ACS Publications
Despite the ubiquity of stacking interactions between heterocycles and aromatic amino acids
in biological systems, our ability to predict their strength, even qualitatively, is limited. On the …

Parametrization of non-covalent interactions for transition state interrogation applied to asymmetric catalysis

M Orlandi, JAS Coelho, MJ Hilton… - Journal of the …, 2017 - ACS Publications
The use of computed interaction energies and distances as parameters in multivariate
correlations is introduced for postulating non-covalent interactions. This new class of …