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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Astatine Facing Janus: Halogen Bonding vs. Charge-Shift Bonding
Molecules, 2021 The nature of halogen-bond interactions was scrutinized from the perspective of astatine, potentially the strongest halogen-bond donor atom. In addition to its remarkable electronic properties (e.g., its higher aromaticity compared to benzene), C6At6 can
Serigne Sarr +4 more
doaj +1 more source
Toward a uniform description of hydrogen bond and halogen bond: correlations of interaction energies with various geometric, electronic and topological parameters [PDF]
, 2017 Correlations between interaction energies and various structural parameters were established to reveal the differences between hydrogen bonds and halogen bonds.
Hu, Gui-Xiang +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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Crystals, 2017 Seventeen new halogen-bonded co-crystals characterized by single crystal X-ray analysis are presented from 8 × 4 combinations using methyl-substituted pyridine N-oxides and 1,ω-diiodoperfluoroalkanes. The N−O group in six of 17 co-crystals is monodentate
Rakesh Puttreddy +3 more
doaj +1 more source
The effects of halogen elements on the opening of an icosahedral B12 framework [PDF]
, 2017 The fully halogenated or hydrogenated B12X12 (X = H, F, Cl, Br and I) clusters are confirmed to be icosahedral. On the other hand, the bare B12 cluster is shown to have a planar structure. A previous study showed that a transformation from an icosahedron
Gong, Liang-Fa +5 more
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Halogen Bonding in Nucleic Acid Complexes
, 2017 Halogen bonding (X-bonding) has attracted notable attention among noncovalent interactions. This highly directional attraction between a halogen atom and an electron donor has been exploited in knowledge-based drug design. A great deal of information has
Kolář, Michal H., Tabarrini, Oriana
core +1 more source
Radical Fluoroalkylation Reactions [PDF]
, 2018 Recent protocols and reactions for catalytic radical perfluoroalkylations will be described. The production of perfluoroalkyl radicals (RF = CnF2n+1, n ≥ 2), which effect both addition and substitution reactions on organic substrates, can be realized ...
Barata Vallejo, Sebastian +2 more
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The mutual influence of Y⋯N and H⋯H interactions in XHY⋯NCH⋯HM complexes (X = F, Cl, Br; Y = S, Se; M = Li, Na, BeH, MgH): Tuning of the chalcogen bond by dihydrogen bond interaction [PDF]
, 2016 The equilibrium structures, interaction energies, and bonding properties of ternary XHY⋯NCH⋯HM complexes are studied by ab initio calculations, where X = F, Cl, Br, Y = S, Se, and M = Li, Na, BeH, MgH.
Asadollahi, S. +2 more
core +1 more source
Halogen-Bonded Photoresponsive Materials
, 2014 The aim of the present review is to illustrate to the reader the state of the art on the construction of supramolecular azobenzene-containing materials formed by halogen bonding. These materials include several examples of polymeric, liquid crystalline or crystalline species whose performances are either superior to the corresponding performances of ...
Saccone, Marco +5 more
openaire +7 more sources