Exploiting non-covalent π interactions for catalyst design
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 …
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 …
only because it allows diverse transformations but also because it supports key …
The n→ π* interaction: a rapidly emerging non-covalent interaction
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 …
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 …
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
Enantioselectivity values represent relative rate measurements that are sensitive to the
structural features of the substrates and catalysts interacting to produce them. Therefore …
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 …
interactions in metal–organic frameworks (MOFs): Hydrogen bonds (HBs), dipole–dipole …
Direct spectroscopic evidence for an n→ π* interaction
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 …
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 …
electron density between the two orbitals. Studies on the intermolecular complexes …
Intermolecular noncovalent interactions with carbon in solution
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 …
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 …
the acceptor are not common in protein structures. We systematically searched NH… N H …