ArticleInternational journal of molecular sciences2024
Halogen Bond via an Electrophilic π-Hole on Halogen in Molecules: Does It Exist?
Article in International journal of molecular sciences, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
4 citing papers in PubMed.
- Synthesis, Structure, and Reactivity of Hypervalent Iodine Reagents Stabilized by Internal Out-of-Plane Halogen Bonding:The Journal of organic chemistry · 2026Article
- Molecular Electrostatic Surface Potential: A Predictive Framework for Noncovalent Interactions and Adsorption Characteristics in Molecular Entities.International journal of molecular sciences · 2026Review
- Intramolecular Versus Intermolecular Bonding in Drug Gemcitabine and Nucleobases: A Computational Study.Molecules (Basel, Switzerland) · 2025Article
- Study of the Electronic Structure of Coronene Doped with Nitrogen Atoms and Its Effect on COACS omega · 2025Article
Corrections and comments
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Authors and funding
1 author.
Funding
No grant is acknowledged in the PubMed record.
Abstract
This study reveals a new non-covalent interaction called a π-hole halogen bond, which is directional and potentially non-linear compared to its sister analog (σ-hole halogen bond). A π-hole is shown here to be observed on the surface of halogen in halogenated molecules, which can be tempered to display the aptness to form a π-hole halogen bond with a series of electron density-rich sites (Lewis bases) hosted individually by 32 other partner molecules. The [MP2/aug-cc-pVTZ] level characteristics of the π-hole halogen bonds in 33 binary complexes obtained from the charge density approaches (quantum theory of intramolecular atoms, molecular electrostatic surface potential, independent gradient model (IGM-
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