ArticleChemistry (Weinheim an der Bergstrasse, Germany)2020
Is There a Single Ideal Parameter for Halogen-Bonding-Based Lewis Acidity?
Article in Chemistry (Weinheim an der Bergstrasse, Germany), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
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.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
16 citing papers in PubMed.
- Self-Complementary Dimers Based on Zwitterionic Halogen Bond Donors.Chemistry (Weinheim an der Bergstrasse, Germany) · 2026Article
- Engineering Supramolecular Systems with a Bis(pyridyl)azine Derivative and Different Hydrogen and Halogen Donors.Crystal growth & design · 2026Article
- Asymmetric Counteranion-Directed Halogen Bonding Catalysis.Journal of the American Chemical Society · 2025Article
- A comparison of structure, bonding and non-covalent interactions of aryl halide and diarylhalonium halogen-bond donors.Beilstein journal of organic chemistry · 2024Article
- Gauging the Strength of the Molecular Halogen Bond via Experimental Electron Density and Spectroscopy.ACS omega · 2023Article
- A Quantum-chemical Analysis on the Lewis Acidity of Diarylhalonium Ions.Chemphyschem : a European journal of chemical physics and physical chemistry · 2023Article
- Pushing the limits of the hydrogen bond enhanced halogen bond-the case of the C-H hydrogen bond.Chemical science · 2022Article
- Catalytic Activation of Imines by Chalcogen Bond Donors in a Povarov [4+2] Cycloaddition Reaction.Chemistry (Weinheim an der Bergstrasse, Germany) · 2022Article
- Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity.Chemical science · 2022Article
- Revealing Intra- and Intermolecular Interactions Determining Physico-Chemical Features of Selected Quinolone Carboxylic Acid Derivatives.Molecules (Basel, Switzerland) · 2022Article
- Carbonyl Hypoiodites as Extremely Strong Halogen Bond Donors.Angewandte Chemie (International ed. in English) · 2021Article
- Multidimensional Lewis Acidity: A Consistent Data Set of Chloride, Hydride, Methide, Water and Ammonia Affinities for 183 p-Block Element Lewis Acids.Chemphyschem : a European journal of chemical physics and physical chemistry · 2021Article
- A Bidentate Iodine(III)-Based Halogen-Bond Donor as a Powerful Organocatalyst*.Angewandte Chemie (International ed. in English) · 2021Article
- Halogen Bond of Halonium Ions: Benchmarking DFT Methods for the Description of NMR Chemical Shifts.Journal of chemical theory and computation · 2020Article
- Hypervalent Iodine(III) Compounds as Biaxial Halogen Bond Donors.Journal of the American Chemical Society · 2020Article
- Is There a Single Ideal Parameter for Halogen-Bonding-Based Lewis Acidity?Chemistry (Weinheim an der Bergstrasse, Germany) · 2020Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
Abstract
Halogen-bond donors (halogen-based Lewis acids) have now found various applications in diverse fields of chemistry. The goal of this study was to identify a parameter obtainable from a single DFT calculation that reliably describes halogen-bonding strength (Lewis acidity). First, several DFT methods were benchmarked against the CCSD(T) CBS binding data of complexes of 17 carbon-based halogen-bond donors with chloride and ammonia as representative Lewis bases, which revealed M05-2X with a partially augmented def2-TZVP(D) basis set as the best model chemistry. The best single parameter to predict halogen-bonding strengths was the static σ-hole depth, but it still provided inaccurate predictions for a series of compounds. Thus, a more reliable parameter, Ω
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.