Abnormalities of the Halogen Bonds in the Complexes between Y2CTe (Y = H, F, CH3) and XF (X = F, Cl, Br, I) [PDF]
Molecules, 2022 In this work, the hydrogen bonds and halogen bonds in the complexes between Y2CTe (Y = H, F, CH3) and XF (X = F, Cl, Br, I) have been studied by quantum chemical calculations. We found three interesting abnormalities regarding the interactions.
Ya-Qian Wang +3 more
doaj +4 more sources
Supramolecular Halogen Bonds in Asymmetric Catalysis [PDF]
Frontiers in Chemistry, 2020 Halogen bonding has received a significant increase in attention in the past 20 years. An important part of this interest has centered on catalytic applications of halogen bonding.
Mikk Kaasik, Tõnis Kanger
doaj +3 more sources
Matere Bonds vs. Multivalent Halogen and Chalcogen Bonds: Three Case Studies [PDF]
Molecules, 2022 The term matere bond has been recently used to refer to an attractive noncovalent interaction between any element of group 7 acting as an electrophile and any atom (or group of atoms) acting as a nucleophile.
Rosa M. Gomila, Antonio Frontera
doaj +2 more sources
Site Selectivity of Halogen Oxygen Bonding in 5- and 6-Haloderivatives of Uracil [PDF]
Crystals, 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 of ...
Gustavo Portalone
doaj +3 more sources
Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts [PDF]
IUCrJ, 2017 Halogen bonds have been identified in a series of ionic compounds involving bromonium and iodonium cations and several different anions, some also containing hypervalent atoms.
Gabriella Cavallo +5 more
doaj +5 more sources
A–X⋯σ Interactions—Halogen Bonds with σ-Electrons as the Lewis Base Centre [PDF]
Molecules, 2021 CCSD(T)/aug-cc-pVTZ//ωB97XD/aug-cc-pVTZ calculations were performed for halogen-bonded complexes. Here, the molecular hydrogen, cyclopropane, cyclobutane and cyclopentane act as Lewis base units that interact through the electrons of the H–H or C–C σ ...
Sławomir J. Grabowski
doaj +2 more sources
Combination of Hydrogen and Halogen Bonds in the Crystal Structures of 5-Halogeno-1H-isatin-3-oximes: Involvement of the Oxime Functionality in Halogen Bonding [PDF]
MoleculesVarious functional groups have been considered as acceptors for halogen bonds, but the oxime functionality has received very little attention in this context.
Eric Meier +2 more
doaj +2 more sources
Reliable Comparison of Pnicogen, Chalcogen, and Halogen Bonds in Complexes of 6-OXF2-Fulvene (X = As, Sb, Se, Te, Be, I) With Three Electron Donors [PDF]
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
doaj +2 more sources
Comparative Strengths of Tetrel, Pnicogen, Chalcogen, and Halogen Bonds and Contributing Factors [PDF]
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
doaj +2 more sources
Probing Halogen Bonds by Scalar Couplings. [PDF]
J Am Chem Soc, 2021 Jimmink B +4 more
europepmc +5 more sources