ArticleChemistry (Weinheim an der Bergstrasse, Germany)2025
The Fluoride Ion Affinity Revisited: Do We Need the Anchor-Point Approach?
Article in Chemistry (Weinheim an der Bergstrasse, Germany), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed.
- Germylium Catalyzed Dehydrofluorination Reactions of Fluorinated Alkanes.Chemistry (Weinheim an der Bergstrasse, Germany) · 2026Article
- Formation of Gallium Monofluoride in the Coordination Sphere of Nickel.Angewandte Chemie (International ed. in English) · 2026Article
- Lewis acidity of a high-valent copper(iii) acetylacetonate.RSC advances · 2026Article
- Systematic Evaluation of a Cluster-Continuum-Model Workflow to Compute the Free Energies of Solvation of Ions in Different Solvents.The journal of physical chemistry. A · 2026Article
- Isolation of halogen-substituted silylium ions.Nature chemistry · 2025Article
- Impact on increasing the bent angle in nickel dibenzoporphyrin(2.1.2.1) bows. Evaluation of structural and molecular features from computations.RSC advances · 2025Article
- The Fluoride Ion Affinity Revisited: Do We Need the Anchor-Point Approach?Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
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4 authors.
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Abstract
A large and diverse high-level benchmark data set of computed gas-phase fluoride ion affinities (FIAs) for 71 small main-group Lewis acids is presented. It has been used to evaluate quantitatively DFT approaches with 52 functionals and 4 composite methods. Two widely used indirect anchor-point methods based on isodesmic reactions with fluorophosgene or the trimethyl silyl cation are compared to the direct computation of the FIA. It has been frequently stated that anchor-point methods are to be strongly preferred over direct FIA computations at DFT levels, as they avoid treatment of the naked fluoride ion. Here it is shown that this widespread assumption does not hold when modern functionals with low self-interaction errors and suitable basis sets with diffuse functions are used. In these cases, an anchor-point approach based on
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