Recognition in the domain of molecular chirality: from noncovalent interactions to separation of enantiomers

P Peluso, B Chankvetadze - Chemical Reviews, 2022 - ACS Publications
It is not a coincidence that both chirality and noncovalent interactions are ubiquitous in
nature and synthetic molecular systems. Noncovalent interactivity between chiral molecules …

The halogen bond

G Cavallo, P Metrangolo, R Milani, T Pilati… - Chemical …, 2016 - ACS Publications
The halogen bond occurs when there is evidence of a net attractive interaction between an
electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic …

Catalysis of organic reactions through halogen bonding

RL Sutar, SM Huber - ACS Catalysis, 2019 - ACS Publications
Halogen bonding, the noncovalent interaction based on electrophilic halogen substituents,
features very interesting properties, as illustrated by numerous applications continuously …

Halogen bonding in supramolecular chemistry

LC Gilday, SW Robinson, TA Barendt… - Chemical …, 2015 - ACS Publications
Supramolecular chemistry is “the chemistry of the intermolecular bond, covering the
structures and functions of the entities formed by association of two or more chemical …

Halogen bonding in organic synthesis and organocatalysis

D Bulfield, SM Huber - Chemistry–A European Journal, 2016 - Wiley Online Library
Halogen bonding is a noncovalent interaction similar to hydrogen bonding, which is based
on electrophilic halogen substituents. Hydrogen‐bonding‐based organocatalysis is a well …

Computer modeling of halogen bonds and other σ-hole interactions

MH Kolar, P Hobza - Chemical reviews, 2016 - ACS Publications
In the field of noncovalent interactions a new paradigm has recently become popular. It
stems from the analysis of molecular electrostatic potentials and introduces a label, which …

σ-Hole bond vs π-hole bond: a comparison based on halogen bond

H Wang, W Wang, WJ ** - Chemical reviews, 2016 - ACS Publications
The σ-hole and π-hole are the regions with positive surface electrostatic potential on the
molecule entity; the former specifically refers to the positive region of a molecular entity …

Anion recognition strategies based on combined noncovalent interactions

P Molina, F Zapata, A Caballero - Chemical Reviews, 2017 - ACS Publications
This review highlights the most significant examples of an emerging field in the design of
highly selective anion receptors. To date, there has been remarkable progress in the binding …

Semiempirical quantum mechanical methods for noncovalent interactions for chemical and biochemical applications

AS Christensen, T Kubar, Q Cui, M Elstner - Chemical reviews, 2016 - ACS Publications
Semiempirical (SE) methods can be derived from either Hartree–Fock or density functional
theory by applying systematic approximations, leading to efficient computational schemes …

Molecular recognition in chemical and biological systems

E Persch, O Dumele, F Diederich - … Chemie International Edition, 2015 - Wiley Online Library
Abstract Structure‐based ligand design in medicinal chemistry and crop protection relies on
the identification and quantification of weak noncovalent interactions and understanding the …