Results 31 to 40 of about 85,379 (320)
Chinese Journal of Magnetic Resonance, 2017 Halogen bond, as hydrogen bond, is a non-covalent bond. Dynamic nuclear polarization (DNP) technique has been used previously to study hydrogen bonds-mediated intermolecular interactions. However, no study has been carried out so far to study the halogen
GAO Shan +8 more
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Competition between hydrogen and halogen bonding in halogenated 1-methyluracil: water systems [PDF]
, 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
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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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Frontiers 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
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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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Halogen bonds involved in binding of halogenated ligands by protein kinases. [PDF]
, 2016 Analysis of 664 known structures of protein kinase complexes with halogenated ligands revealed 424 short contacts between a halogen atom and a potential protein X-bond acceptor, the topology and geometry of which were analyzed according to the type of a ...
Czapinska, Honorata +4 more
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Supramolecular self-assembled network formation containing N···Br halogen bonds in physisorbed overlayers. [PDF]
, 2014 The formation of a halogen bonded self-assembled co-crystal physisorbed monolayer containing N···Br interactions is reported for the first time. The co-crystal monolayer is identified experimentally by synchrotron X-ray diffraction and the structure ...
Brewer, Adam Y +5 more
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Transmembrane Halogen-Bonding Cascades
Journal 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
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Cooperativity of halogen bonds – enhancing halogen-bond donating ability of halogenated pyridines through halogen bonding with N-haloimides [PDF]
Acta 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
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Halogen Bonds in Clathrate Cages: A Real Space Perspective [PDF]
, 2018 We thank the Spanish MINECO, grant CTQ2015-65790-P, and theFICYT ...
Costales Castro, María Aurora +4 more
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