“Magic chloro”: profound effects of the chlorine atom in drug discovery

D Chiodi, Y Ishihara - Journal of Medicinal Chemistry, 2023 - ACS Publications
Chlorine is one of the most common atoms present in small-molecule drugs beyond carbon,
hydrogen, nitrogen, and oxygen. There are currently more than 250 FDA-approved chlorine …

Beyond steric crowding: dispersion energy donor effects in large hydrocarbon ligands

KL Mears, PP Power - Accounts of Chemical Research, 2022 - ACS Publications
Conspectus Interactions between sterically crowded hydrocarbon-substituted ligands are
widely considered to be repulsive because of the intrusion of the electron clouds of the …

Catalytic asymmetric hydrogen atom transfer: enantioselective hydroamination of alkenes

BG Hejna, JM Ganley, H Shao, H Tian… - Journal of the …, 2023 - ACS Publications
We report a highly enantioselective radical-based hydroamination of enol esters with
sulfonamides jointly catalyzed by an Ir photocatalyst, Brønsted base, and tetrapeptide thiol …

Influence of steric and dispersion interactions on the thermochemistry of crowded (fluoro) alkyl compounds

M Bursch, S Grimme, A Hansen - Accounts of Chemical Research, 2023 - ACS Publications
Conspectus Alkanes play a pivotal role in industrial, environmental, and biological
processes. They are characterized by their carbon–carbon single-bond structure …

Advances and Prospects in Understanding London Dispersion Interactions in Molecular Chemistry

L Rummel, PR Schreiner - Angewandte Chemie International …, 2024 - Wiley Online Library
London dispersion (LD) interactions are the main contribution of the attractive part of the van
der Waals potential. Even though LD effects are the driving force for molecular aggregation …

Tilting the Balance: London Dispersion Systematically Enhances Enantioselectivities in Brønsted Acid Catalyzed Transfer Hydrogenation of Imines

J Gramüller, M Franta… - Journal of the American …, 2022 - ACS Publications
London dispersion (LD) is attracting more and more attention in catalysis since LD is
ubiquitously present and cumulative. Since dispersion is hard to grasp, recent research has …

Context-Dependent Significance of London Dispersion

LA Gravillier, SL Cockroft - Accounts of Chemical Research, 2023 - ACS Publications
Conspectus London forces constitute an attractive component of van der Waals interactions
and originate from transient correlated momentary dipoles in adjacent atoms. The in-depth …

Understanding chemistry: from “heuristic (soft) explanations and reasoning by analogy” to “quantum chemistry”

JI Seeman, DJ Tantillo - Chemical science, 2022 - pubs.rsc.org
“Soft theories,” ie,“heuristic models based on reasoning by analogy” largely drove chemistry
understanding for 150 years or more. But soft theories have their limitations and with the …

Selective Cobalt (II)–SNS Dithiolate Complex-Catalyzed Bifunctional Hydroboration of Aldehydes: Kinetics and Mechanistic Studies

S Ataie, SL Dudra, ER Johnson, RT Baker - ACS Catalysis, 2023 - ACS Publications
Anionic ligands containing a nonbonded lone pair (ie, amido, thiolate) are well-known to
cooperate with a metal center in bifunctional catalytic reactions. An NHC CoII (κ3-SNS) …

Increasing complexity in a conformer space step-by-step: weighing London dispersion against cation− π interactions

V Gorbachev, A Tsybizova… - Journal of the …, 2022 - ACS Publications
We report an evaluation of the importance of London dispersion in moderately large (up to
36 heavy atoms) organic molecules by means of a molecular torsion balance whose …