Iridium-Catalyzed Silylation of Five-Membered Heteroarenes: High Sterically Derived Selectivity from a Pyridyl-Imidazoline Ligand. [PDF]
, 2020 The steric effects of substituents on five-membered rings are less pronounced than those on six-membered rings because of the difference in bond angles. Thus, the regioselectivities of reactions of five-membered heteroarenes that occur with selectivities
Hartwig, John F +3 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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Crystal structure of 7,8-dichloro-4-oxo-4H-chromene-3-carbaldehyde
Acta Crystallographica Section E: Crystallographic Communications, 2015 In the title compound, C10H4Cl2O3, a dichlorinated 3-formylchromone derivative, the fused-ring system is slightly puckered [dihedral angle between the benzene and pyran rings = 3.66 (10)°].
Yoshinobu Ishikawa
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Halogen Bonds Fabricate 2D Molecular Self-Assembled Nanostructures by Scanning Tunneling Microscopy
Crystals, 2020 Halogen bonds are currently new noncovalent interactions due to their moderate strength and high directionality, which are widely investigated in crystal engineering.
Yi Wang, Xinrui Miao, Wenli Deng
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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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π covalency in the halogen bond
Nature Communications, 2020 Current models of halogen bonding describe the σ-symmetric component of this interaction but do not contemplate the possibility of π-covalency. Here the authors provide experimental and computational evidence of π-covalency in halogen bonds involving ...
Cameron W. Kellett +2 more
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Frontiers in Chemistry, 2020 The pnicogen, chalcogen, and halogen bonds between 6-OXF2-fulvene (X = As, Sb, Se, Te, Br, and I) and three nitrogen-containing bases (FCN, HCN, and NH3) are compared.
Na Liu +2 more
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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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Comparative Strengths of Tetrel, Pnicogen, Chalcogen, and Halogen Bonds and Contributing Factors
Molecules, 2018 Ab initio calculations are employed to assess the relative strengths of various noncovalent bonds. Tetrel, pnicogen, chalcogen, and halogen atoms are represented by third-row atoms Ge, As, Se, and Br, respectively.
Wenbo Dong, Qingzhong Li, Steve Scheiner
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