Results 21 to 30 of about 18,040 (292)

Halogen Bonding in N-Alkyl-3-halogenopyridinium Salts

open access: yesCrystals, 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
doaj   +1 more source

Halogen bonding and chalcogen bonding mediated sensing

open access: yesChemical 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
openaire   +2 more sources

Modulation of the Selectivity in Anions Recognition Processes by Combining Hydrogen- and Halogen-Bonding Interactions

open access: yesMolecules, 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
doaj   +1 more source

Halogen Bonding in the Complexes of Brominated Electrophiles with Chloride Anions: From a Weak Supramolecular Interaction to a Covalent Br–Cl Bond

open access: yesCrystals, 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
doaj   +1 more source

Intermolecular Halogen Bond Detected in Racemic and Optically Pure N-C Axially Chiral 3-(2-Halophenyl)quinazoline-4-thione Derivatives

open access: yesMolecules, 2022
The halogen bond has been widely used as an important supramolecular tool in various research areas. However, there are relatively few studies on halogen bonding related to molecular chirality. 3-(2-Halophenyl)quinazoline-4-thione derivatives have stable
Ryosuke Matsui   +7 more
doaj   +1 more source

The Significance of Halogen Bonding in Ligand–Receptor Interactions: The Lesson Learned from Molecular Dynamic Simulations of the D4 Receptor

open access: yesMolecules, 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
doaj   +1 more source

Transmembrane Halogen-Bonding Cascades

open access: yesJournal of the American Chemical Society, 2013
Halogen bonds have recently been introduced as ideal to transport anions across lipid bilayer membranes. However, activities obtained with small transporters were not impressive, and cyclic arrays of strong halogen-bond donors above a calix[4]arene scaffold gave even weaker activities. Here, we report that their linear alignment for anion hopping along
Vargas Jentzsch Andreas, Matile Stefan
openaire   +4 more sources

Cooperativity of halogen bonds – enhancing halogen-bond donating ability of halogenated pyridines through halogen bonding with N-haloimides [PDF]

open access: yesActa Crystallographica Section A Foundations and Advances, 2018
N-halogenated imides, common halogenating agents in organic synthesis, have recently been marked as extremely strong halogen donors. In previous studies we have demonstrated that N-halogenated succinimides form extremely short XBs with halogen bond energies between 20 and 60 kJ mol–1, depending on the pyridine basicity and the halogen atom. In light of
Stilinović, Vladimir, Cinčić, Dominik
openaire   +2 more sources

Halogen Bonding in Haspin-Halogenated Tubercidin Complexes: Molecular Dynamics and Quantum Chemical Calculations

open access: yesMolecules, 2022
Haspin, an atypical serine/threonine protein kinase, is a potential target for cancer therapy. 5-iodotubercidin (5-iTU), an adenosine derivative, has been identified as a potent Haspin inhibitor in vitro.
Yujing Zhou, Ming Wah Wong
doaj   +1 more source

Halogen Bonding in (Z)-2-Iodocinnamaldehyde

open access: yesMolecules, 2013
Based on the bulkiness of the iodine atom, a non-planar conformation was expected for the title compound. Instead, its molecular structure is planar, as experimentally determined using single crystal X-ray diffraction, and confirmed theoretically by DFT ...
Miriam Rossi   +3 more
doaj   +1 more source

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