Results 31 to 40 of about 84,584 (328)

Site selectivity of halogen oxygen bonding in 5- and 6-haloderivatives of uracil [PDF]

open access: yes, 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 ...
Portalone, Gustavo
core   +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

Hybrid Molecular Dynamics for Elucidating Cooperativity Between Halogen Bond and Water Molecules During the Interaction of p53-Y220C and the PhiKan5196 Complex

open access: yesFrontiers in Chemistry, 2020
The cooperativity between hydrogen and halogen bonds plays an important role in rational drug design. However, mimicking the dynamic cooperation between these bonds is a challenging issue, which has impeded the development of the halogen bond force field.
Tian-ge Dong   +4 more
doaj   +1 more source

Isomerization as a Key Path to Molecular Products in the Gas-Phase Decomposition of Halons [PDF]

open access: yes, 2010
The decomposition of halons remains controversial concerning the branching between radical and molecular products. The latter channel, where it has been found, is presumed to occur via a constrained symmetric multicenter transition state.
George, Lisa   +2 more
core   +2 more sources

Complementary, Cooperative Ditopic Halogen Bonding and Electron Donor-Acceptor π-π Complexation in the Formation of Cocrystals

open access: yesMolecules, 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
doaj   +1 more source

Hierarchical Self-Assembly of Halogen-Bonded Block Copolymer Complexes into Upright Cylindrical Domains [PDF]

open access: yes, 2017
Self-assembly of block copolymers into well-defined, ordered arrangements of chemically distinct domains is a reliable strategy for preparing tailored nanostructures.
Cavallo G.   +10 more
core   +1 more source

The Halogen Bond in the Design of Functional Supramolecular Materials: Recent Advances [PDF]

open access: yes, 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
core   +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

Competition between hydrogen and halogen bonding in halogenated 1-methyluracil: water systems [PDF]

open access: yes, 2016
The competition between hydrogen- and halogen-bonding interactions in complexes of 5-halogenated 1-methyluracil (XmU; X = F, Cl, Br, I or At) with one or two water molecules in the binding region between C5-X and C4=O4 is investigated with M06-2X/6-31+G ...
Hogan, Simon William Leslie   +1 more
core   +1 more source

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