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 …

The n→π* Interaction

RW Newberry, RT Raines - Accounts of chemical research, 2017 - ACS Publications
Conspectus The carbonyl group holds a prominent position in chemistry and biology not
only because it allows diverse transformations but also because it supports key …

The n→ π* interaction: a rapidly emerging non-covalent interaction

SK Singh, A Das - Physical Chemistry Chemical Physics, 2015 - pubs.rsc.org
This perspective describes the current status of a recently discovered non-covalent
interaction named as the n→ π* interaction, which is very weak and counterintuitive in …

Generalized Kohn‐Sham energy decomposition analysis and its applications

P Su, Z Tang, W Wu - Wiley Interdisciplinary Reviews …, 2020 - Wiley Online Library
Energy decomposition analysis (EDA) methods bridge the gap between electronic structure
calculations and conceptual interpretations of molecular interactions. The recently …

Enantiodivergent fluorination of allylic alcohols: data set design reveals structural interplay between achiral directing group and chiral anion

AJ Neel, A Milo, MS Sigman… - Journal of the American …, 2016 - ACS Publications
Enantioselectivity values represent relative rate measurements that are sensitive to the
structural features of the substrates and catalysts interacting to produce them. Therefore …

An overview of the role of supramolecular interactions in gas storage using MOFs

R Colorado-Peralta, JM Rivera-Villanueva… - Polyhedron, 2022 - Elsevier
This work aims to provide a complete understanding of how different supramolecular
interactions in metal–organic frameworks (MOFs): Hydrogen bonds (HBs), dipole–dipole …

Direct spectroscopic evidence for an n→ π* interaction

SK Singh, KK Mishra, N Sharma… - Angewandte Chemie …, 2016 - Wiley Online Library
The n→ π* interaction is an extremely weak but very important noncovalent interaction.
Although this interaction is widely present in biomolecules and materials, its existence is …

Modulation of n → π* Interaction in the Complexes of p-Substituted Pyridines with Aldehydes: A Theoretical Study

P Panwaria, A Das - The Journal of Physical Chemistry A, 2023 - ACS Publications
n→ π* interaction is analogous to the hydrogen bond in terms of the delocalization of the
electron density between the two orbitals. Studies on the intermolecular complexes …

Intermolecular noncovalent interactions with carbon in solution

J Dutta, C Routray, S Pandey, HS Biswal - Chemical Science, 2022 - pubs.rsc.org
One of the most familiar carbon-centered noncovalent interactions (NCIs) involving an
antibonding π*-orbital situated at the Bürgi–Dunitz angle from the electron donor, mostly …

Unconventional NH… N hydrogen bonds involving proline backbone nitrogen in protein structures

RNVK Deepak, R Sankararamakrishnan - Biophysical journal, 2016 - cell.com
Contrary to DNA double-helical structures, hydrogen bonds (H-bonds) involving nitrogen as
the acceptor are not common in protein structures. We systematically searched NH… N H …