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Halogen Bonding in Perfluoroalkyl Adsorption [PDF]
ACS OmegaAdsorption is a promising technology to remove perfluoroalkyl substances (PFAS), including perfluorooctanesulfonic acid (PFOS) and perfluorooctanoic acid (PFOA), from contaminated water. Although a large number of materials have been evaluated for PFAS adsorption, guidelines that can facilitate the rational design and selection of adsorbents have not ...
Lei Lu, Chongzheng Na
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Activation of a Metal‐Halogen Bond by Halogen Bonding [PDF]
Angewandte Chemie - International Edition, 2020 Abstract In recent years, the non‐covalent interaction of halogen bonding (XB) has found increasing application in organocatalysis. However, reports of the activation of metal‐ligand bonds by XB have so far been limited to a few reactions with elemental iodine or bromine. Herein, we present the activation of metal‐halogen bonds by two
Claude Y Legault +2 more
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Exploring the role of halogen bonding in iodonium ylides: insights into unexpected reactivity and reaction control [PDF]
Beilstein Journal of Organic Chemistry, 2023 Halogen bonding is commonly found with iodine-containing molecules, and it arises when Lewis bases interact with iodine’s σ-holes. Halogen bonding and σ-holes have been encountered in numerous monovalent and hypervalent iodine-containing compounds, and ...
Carlee A. Montgomery, Graham K. Murphy
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“Anti‐Electrostatic” Halogen Bonding [PDF]
Angewandte Chemie - International Edition, 2020 Abstract Halogen bonding is often described as being driven predominantly by electrostatics, and thus adducts between anionic halogen bond (XB) donors (halogen‐based Lewis acids) and anions seem counterintuitive. Such “anti‐electrostatic” XBs have been predicted theoretically but for organic XB donors, there are currently no ...
Elric Engelage +2 more
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Enhanced enantioselectivity in halogen-bonding catalysis [PDF]
Communications Chemistry, 2023 Chiral halogen-bonding catalysts have emerged as a new approach towards asymmetric catalysis, but enantioselectivities have thus far remained low. Now, fine-tuning the substrate–catalyst halogen–halogen interactions is shown to significantly enhance ...
Victoria Richards
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Site Selectivity of Halogen Oxygen Bonding in 5- and 6-Haloderivatives of Uracil [PDF]
Crystals, 2019 Seven 5-and 6-halogenated derivatives of uracil or 1-methyluracil (halogen = Cl, Br, I) were studied by single crystal X-ray diffraction. In contrast with pure 5-halouracils, where the presence of N-H⋯O and C-H⋯O hydrogen bonds prevents the formation of ...
Gustavo Portalone
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π covalency in the halogen bond [PDF]
Nature Communications, 2020 Current models of halogen bonding describe the σ-symmetric component of this interaction but do not contemplate the possibility of π-covalency. Here the authors provide experimental and computational evidence of π-covalency in halogen bonds involving ...
Cameron W. Kellett +2 more
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Interplay of halogen bonding and solvation in protein–ligand binding [PDF]
iScienceSummary: Halogen bonding is increasingly utilized in efforts to achieve high affinity and selectivity of molecules designed to bind proteins, making it paramount to understand the relationship between structure, dynamics, and thermodynamic driving forces.
Maria Luisa Verteramo +13 more
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Chemical Reviews, 2016 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 region in another, or the same, molecular entity. In this fairly extensive review, after a brief history of the interaction, we will provide the reader with a snapshot of ...
Cavallo, Gabriella +7 more
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Molecules, 2022 This study expands and combines concepts from two of our earlier studies. One study reported the complementary halogen bonding and π-π charge transfer complexation observed between isomeric electron rich 4-N,N-dimethylaminophenylethynylpyridines and the ...
Erin D. Speetzen +3 more
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