Results 21 to 30 of about 54,172 (278)
Halogen Bonding in N-Alkyl-3-halogenopyridinium Salts
Crystals, 2021 We performed a structural study of N-alkylated halogenopyridinium cations to examine whether choice of the N-substituent has any considerable effect on the halogen bonding capability of the cations.
Luka Fotović, Vladimir Stilinović
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Experimental and Theoretical Evidence for Nitrogen-Fluorine Halogen Bonding in Silver-Initiated Radical Fluorinations [PDF]
, 2019 We report experimental and computational evidence for nitrogen–fluorine halogen bonding in Ag(I)-initiated radical C–H fluorinations. Simple pyridines form [N–F–N]+ halogen bonds with Selectfluor to facilitate single-electron reduction by catalytic Ag ...
Baker, Sarah I +4 more
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The Halogen Bond in the Design of Functional Supramolecular Materials: Recent Advances [PDF]
, 2013 Halogen bonding is an emerging noncovalent interaction for constructing supramolecular assemblies. Though similar to the more familiar hydrogen bonding, four primary differences between these two interactions make halogen bonding a unique tool for ...
A. Priimagi +3 more
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Intramolecular halogen–halogen bonds?
Physical Chemistry Chemical Physics, 2013 By analysing the properties of the electron density in the structurally simple perhalogenated ethanes, X3C-CY3 (X, Y = F, Cl), a previously overlooked non-covalent attraction between halogens attached to opposite carbon atoms is found. Quantum chemical calculations extrapolated towards the full solution of the Schrödinger equation reveal the complex ...
Johansson, Mikael P., Swart, Marcel
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Antibiotics, 2023 Novel bacterial topoisomerase inhibitors (NBTIs) are a new class of antibacterial agents that target bacterial type II topoisomerases (DNA gyrase and topoisomerase IV). Our recently disclosed crystal structure of an NBTI ligand in complex with DNA gyrase
Maja Kokot +5 more
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Halogen bonding and chalcogen bonding mediated sensing
Chemical Science, 2022 Sigma–hole mediated detection of anions is rapidly emerging as a new paradigm in supramolecular sensor chemistry. Herein, we provide an overview of this field including halogen bonding and chalcogen bonding optical, electrochemical and other sensors.
Robert Hein, Paul D. Beer
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Molecules, 2017 Most of the halogen bonding receptors for anions described use halogen bonding binding sites solely in the anion recognition process; only a few examples report the study of anion receptors in which the halogen bonding interaction has been used in ...
Fabiola Zapata +4 more
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Halogen bonding stabilizes a cis-azobenzene derivative in the solid state: A crystallographic study [PDF]
, 2017 Crystals of trans- and cis-isomers of a fluorinated azobenzene derivative have been prepared and characterized by single-crystal X-ray diffraction. The presence of F atoms on the aromatic core of the azobenzene increases the lifetime of the metastable ...
Fernandez-Palacio F. +6 more
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Molecules, 2019 Recently, a computational approach combining a structure−activity relationship library containing pairs of halogenated ligands and their corresponding unsubstituted ligands (called XSAR) with QM-based molecular docking and binding free energy ...
Rafał Kurczab +2 more
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Crystals, 2020 The wide-range variation of the strength of halogen bonds (XB) not only facilitates a variety of applications of this interaction, but it also allows examining the relation (and interconversion) between supramolecular and covalent bonding. Herein, the Br…
Cody Loy +2 more
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