Search results for "Halogen"
showing 10 items of 434 documents
Halogen...halogen interactions in pressure-frozen ortho- and meta-dichlorobenzene isomers.
2007
Isomers 1,2-dichlorobenzene (o-DCB) and 1,3-dichlorobenzene (m-DCB) were high-pressure frozen in-situ in a Merrill–Bassett diamond–anvil cell and their structures determined at room temperature and at 0.18 (5) GPa for o-DCB, and 0.17 (5) GPa for m-DCB by single-crystal X-ray diffraction. The patterns of halogen...halogen intermolecular interactions in these structures can be considered to be the main cohesive forces responsible for the molecular arrangements in these crystals. The molecular packing of dichlorobenzene isomers, including three polymorphs of 1,4-dichlorobenzene (p-DCB), have been compared and relations between their molecular symmetry, packing arrangements, intermolecular inte…
Tetrameric and Dimeric [N∙∙∙I+∙∙∙N] Halogen-Bonded Supramolecular Cages
2017
Tripodal N-donor ligands are used to form halogen-bonded assemblies via structurally analogous Ag+-complexes. Selective formation of discrete tetrameric I6L4 and dimeric I3L2 halonium cages, wherein multiple [N∙∙∙I+∙∙∙N] halogen bonds are used in concert, can be achieved by using sterically rigidified cationic tris(1-methyl-1-azonia-4-azabicyclo[2.2.2]octane)-mesitylene ligand, L1(PF6)3, and flexible ligand 1,3,5-tris(imidazole-1-ylmethyl)-2,4,6-trimethylbenzene, L2, respectively. The iodonium cages, I6L14(PF6)18 and I3L22(PF6)3, were obtained through the [N∙∙∙Ag+∙∙∙N] → [N∙∙∙I+∙∙∙N] cation exchange reaction between the corresponding Ag6L14(PF6)18 and Ag3L22(PF6)3 coordination cages, prepar…
Rapid chemical evolution of tropospheric volcanic emissions from Redoubt Volcano, Alaska, based on observations of ozone and halogen-containing gases
2013
Abstract We report results from an observational and modeling study of reactive chemistry in the tropospheric plume emitted by Redoubt Volcano, Alaska. Our measurements include the first observations of Br and I degassing from an Alaskan volcano, the first study of O 3 evolution in a volcanic plume, as well as the first detection of BrO in the plume of a passively degassing Alaskan volcano. This study also represents the first detailed spatially-resolved comparison of measured and modeled O 3 depletion in a volcanic plume. The composition of the plume was measured on June 20, 2010 using base-treated filter packs (for F, Cl, Br, I, and S) at the crater rim and by an instrumented fixed-wing a…
Triazolopyridines. 14. Substitution reactions of 7-amino[1,2,3]triazolo[1,5-a]pyridines.
1993
Abstract Reaction between 7-aminotriazolopyridines 1 or 2 and sulphuric acid gives hydroxyalkylpyridines 3 and 4 ; bromination gives brominated pyridine 5 or triazolopyridine 6. The anions from amines 1 or 2 are ambident, acylating on N but alkylating on N or on C6; in the latter case triazolylalkenylcyanides 16 – 20 or the 6,6-dialkylated derivative 19 are obtained. An X-ray diffraction study has confirmed structure 19.
Aqua complex of iron(III) and 5-chloro-3-(2-(4,4-dimethyl-2,6- dioxocyclohexylidene) hydrazinyl)-2-hydroxybenzenesulfonate: Structure and catalytic a…
2013
Abstract A water-soluble iron(III) complex [Fe(H2O)3(L)]·5H2O (1) was prepared by reaction of iron(III) chloride with 5-chloro-3-(2-(4,4-dimethyl-2,6-dioxocyclohexylidene)hydrazinyl)-2-hydroxy-benzenesulfonic acid (H3L). The complex was characterized by IR, 1H NMR and ESI-MS spectroscopies, elemental and X-ray crystal structural analyses. The coordination environment of the central iron(III) is a distorted octahedron, three sites being occupied by L3− ligand, which chelates in O,N,O fashion, while three other sites are filled with the water molecules. The uncoordinated water molecules are held in the channels of the overall 3D supramolecular structure by the carbonyl and sulfonyl groups of …
Synthesis of new fluorinated Tebufenpyrad analogs with acaricidal activity through regioselective pyrazole formation.
2008
In previous studies, our group has shown that the use of fluorinated alcohols such as trifluoroethanol (TFE) and hexafluoroisopropanol (HFIP) as solvents dramatically increases the regioselectivity in the pyrazole formation from 1,3-diketone with methylhydrazine. We have now applied this synthetic method to the preparation of new fluorinated pyrazoles, which have then been used as synthetic intermediates in the preparation of fluorinated analogs of Tebufenpyrad, a commercial acaricide. These compounds display a strong acaricidal activity that is either comparable to or better than that of the commercial compound.
Capillary electrophoretic and nuclear magnetic resonance studies of interactions between halophenols and ionic liquid or tetraalkylammonium cations.
2003
Aqueous capillary electrophoretic studies were performed to investigate interactions between halophenols and 1-ethyl-3-methylimidazolium tetrafluoroborate or tetraethylammonium tetrafluoroborate electrolytes. In both cases, increased halogen size correlated with increased affinity for the electrolyte cation. For isomers, the ortho substituted isomer exhibited higher affinity than the para isomer. Irreproducible CE results for analyte pairs in the presence of the ionic liquid stimulated investigations of the interactions between halophenols as well as with the cations of the electrolyte. These interactions were explored by proton and fluorine one-dimensional NMR. The NMR results indicated di…
ChemInform Abstract: ortho-Functionalized Aryltetrazines by Direct Palladium-Catalyzed C-H Halogenation: Application to Fast Electrophilic Fluorinati…
2016
A general catalyzed direct C-H functionalization of s-tetrazines is reported. Under mild reaction conditions, N-directed ortho-C-H activation of tetrazines allows the introduction of various functional groups, thus forming carbon-heteroatom bonds: C-X (X=I, Br, Cl) and C-O. Based on this methodology, we developed electrophilic mono- and poly-ortho-fluorination of tetrazines. Microwave irradiation was optimized to afford fluorinated s-aryltetrazines, with satisfactory selectivity, within only ten minutes. This work provides an efficient and practical entry for further accessing highly substituted tetrazine derivatives (iodo, bromo, chloro, fluoro, and acetate precursors). It gives access to …
Spectral and structural insights of copper reduction pathways in the system of CuX2-R2S (X=Cl, Br; R=allyl, n-propyl)
2021
Abstract We have explored the behaviour of Cu(II)/Cu(I) redox couple in the system CuX2-R2S, X = Cl, Br; R = allyl, n-propyl, under anhydrous and anaerobic conditions, thus simulating the reduction half cycle in the copper catalyzed oxidation of thioethers. In doing so, the Cl−Br substitution was critical for tuning the reduction potentials, while the replacement of propyl group by allyl group supported the trapping of oxidation by-product, halogen molecules. It was therefore possible to use the spectrophotometric titration, thereby providing information on the distribution of complex species in acetonitrile solution. The study showed that the trinuclear mixed−valence copper (I-II-II) aggre…
Synthesis and Characterisation of Chiral Triazole-Based Halogen-Bond Donors: Halogen Bonds in the Solid State and in Solution
2017
A general platform for the synthesis of various chiral halogen-bond (XB) donors based on the triazole core and the characterisation of factors that influence the strength of the halogen bond in the solid state and in solution are reported. The characterisation of XB donors in the solid state by X-ray crystallography and in solution by 1H NMR titration can be used to aid the design of new XB donors. We describe the first example of a XB between iodotriazoles and thioureas in solution. In addition, the enantiodiscrimination of acceptors in solution through halogen-bond participation is described.