Results 1 to 10 of about 68,348 (275)
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
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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
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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
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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
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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
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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
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Surface-controlled reversal of the selectivity of halogen bonds [PDF]
Nature Communications, 2020 Halogen bonds are emerging in numerous areas of application for building molecular assemblies due to their directionality and tunability. Here, the authors establish the surface as a control knob for tuning molecular assemblies by reversing the ...
Jalmar Tschakert +13 more
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Inorganics, 2023 In this manuscript, we have examined the CSD (Cambridge Structural Database) to investigate the relative ability of Te and I (in practice, the heaviest chalcogen and halogen atoms) in di- and tri-iododiorganyltellurium(IV) derivatives to establish σ-hole
Sergi Burguera +3 more
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Acta Crystallographica Section E: Crystallographic Communications, 2023 The formation and crystal structure of a zigzag network held together by I...N halogen bonds is reported. In particular, the halogen-bond donor is 1,3-diiodoperchlorobenzene (C6I2Cl4) while the acceptor is the photoproduct rtct-tetrakis(pyridin-4-yl ...
Eric Bosch +3 more
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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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