Search results for "HALO"
showing 10 items of 2623 documents
Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks
2015
Tetrapyridine functionalized resorcinarene macrocycles were used as multivalent building blocks for the construction of halogen bonded networks with aryl halide linkers. In the solid state, resorcinarene macrocycles and aryl halide linker molecules assembled into interpenetrated, multidimensional halogen bonded networks with porous structure caused by the 3D block scaffold of the resorcinarenes. 19F NMR spectroscopy proved halogen bond formation also in solution, as either upfield or downfield shifts were observed depending on the bivalent or monovalent halogen bond binding mode. The binding mode in solution was explained by density functional theory computations. peerReviewed
Properties and interactions – melting point of tribromobenzene isomers
2021
The melting points of tribromobenzene isomers are correlated with the number, nature and distribution of intermolecular interactions in their structures.
The Synergetic Interplay of Weak Interactions in the Ion-Pair Recognition of Quaternary and Diquaternary Ammonium Salts by Halogenated Resorcinarenes
2013
The influence of halogens on the noncovalent interactions of different upper-rim-substituted hexylresorcinarenes with quaternary and diquaternary ammonium iodide salts was investigated in the gas phase by electrospray ionization Fourier-transform ion-cyclotron-resonance (ESI-FTICR) mass spectrometry and in solution by 1H NMR titration studies. The electronic nature of the substituents on the upper rim of the resorcinarene was directly reflected in the order of binding strengths of the hosts towards quaternary and diquaternary ammonium cations in the gas phase. In solution, the opposite trend was observed, with generally higher binding constants for the diquaternary over the quaternary salts…
Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas
2011
Reaction of green crystalline solid trans-[CuBr2(3-Brpy)2] 1 (3-Brpy = 3-bromopyridine) with HBr (aq) vapour yields brown crystalline salt (3-BrpyH)2[CuBr4] 2 with quantitative conversion. Notably 2 adopts a different crystal structure to the three mutually isostructural compounds (3-XpyH)2[CuCl4] (X = Cl, Br) and (3-BrpyH)2[CuBr2Cl2] which result from reaction with HCl. Crystalline product 2 has been characterised by X-ray powder diffraction and its conversion back to 1 at 370–400 K has been followed in situ by synchrotron X-ray powder diffraction. Crystalline 1 and 2 are further notable for the presence of intermolecular C–Br⋯Br–Cu halogen bonds and (only in the case of 2) N–H⋯Br–Cu hydro…
Non-Isomorphic Chlorine—Bromine Substitution in the Copper(I) Halideπ-Complexes with 1-Allyl-4-aminopyridinium
2003
By alternating-current electrochemical synthesis crystals of {Cu[H2NC5H4N(C3H5)]Br2}˙H2O (I), {Cu[H2NC5H4N(C3H5)]Br0.65Cl1.35}˙H2O (II) and {Cu[H2NC5H4N(C3H5)]Cl2} (III) π-complexes have been obtained and structurally investigated. The I and II compounds are isostructural and crystallize in a monoclinic sp. gr. P21/c, I: a = 7.359(2)A, b = 12.3880(6)A, c = 13.637(3)A, β = 107.03(1)°, V = 1188.7(4)A3, Z = 4 for C8H13N2OBr2Cu composition, R = 0.0293 for 2140 reflections. II: a = 7.2771(6)A, b = 12.3338(3)A, c = 13.4366(7)A, β = 107.632(2)°, V = 1149.3(1)A3, Z = 4 for C8H13N2Br0.65Cl1.35Cu composition, R = 0.0463 for 2185 reflections. Metal and halogen atoms form centrosymmetric Cu2X4 dimers. …
Characterisation of the glycosidic linkage by infrared and Raman spectroscopy in the C-H stretching region: α,α-trehalose and α,α-trehalose-2,3,4,6,6…
1991
Abstract I.r. and Raman spectra of solid α,α-trehalose and α,α-trehalose- 2,3,4,6,6-d 10 in the C-H and C-D stretching regions are recorded. The experimental data are reproduced satisfactorily by normal co-ordinate and i.r. absorption intensity calculations which take into account the specific interactions of each C-H hydrogen with nearby oxygen lone-pairs. The relevance of the region 2800–3000 cm −1 in α,α-trehalose- 2,3,4,6,6-d 10 for the study of the conformational properties of the inter-glycosidic linkage is discussed.
Photocatalytic degradation of 4-nitrophenol in aqueous suspension by using polycrystalline TiO2 impregnated with functionalised Cu(II)-porphyrin or C…
2003
The photocatalytic activity of polycrystalline TiO2 samples impregnated with functionalized Cu(II)- or metal-free porphyrins has been investigated. A probe reaction, i.e., 4-nitrophenol (4-NP) photodegradation in aqueous suspension, has been used. The results indicated that the presence of the sensitizers is beneficial for the photoactivity and suggest an important role of Cu(II). A comparison with similar samples impregnated with modified Cu(II)- and metal-free phthalocyanines showed that the presence of porphyrin is more beneficial both for the decomposition rate of 4-nitrophenol and for the disappearance of nonpurgeable organic carbon (NPOC). Experiments were carried out by using cutoff …
Iodine speciation in marine aerosols along a 30,000 km round-trip cruise path from Shanghai, China to Prydz Bay, Antarctica
2008
[1] Total suspended particle (TSP) samples were collected onboard a round-trip cruise from Shanghai, China to Prydz Bay, Antarctica from November 2005 to March 2006. Water soluble iodine species were measured using ion chromatography coupled to Inductively Coupled Plasma-Mass Spectrometry (IC-ICP-MS). The results reveal that soluble organic iodine (SOI) is the most abundant fraction, accounting for approximately 70 % of total soluble iodine (TSI) on average. One unidentified organic iodine (UOI) signal was present in almost all of the samples and was responsible for up to 38.3% of TSI. The abundance of inorganic iodine species, iodate and iodide, was less than 30% of TSI. Iodide was signifi…
Synthesis of brominated tetrathiafulvalenes via phosphite-mediated cross-coupling
2010
The synthesis of polybrominated tetrathiafulvalenes (TTF-Brn, 2-4) containing 2-4 bromine atoms via phosphite-mediated cross-coupling of bromo-substituted 1,3-dithiole-2-thiones and 1,3-dithiole-2-ones is reported. © 2010 Elsevier B.V.
Oxidative halogenation of substituted pyrroles with Cu(II). PartIII. Bromination and chlorination of 2-benzoylpyrrole
1992
The bromination of 2-benzoylpyrrole with copper(II) bromide in the homogeneous and the heterogeneous phase is described, giving 4- and 5-monobromo derivatives whose ratio decreases as the temperature is increased. The same reaction with copper(II) chloride in acetonitrile at 60° produces 5-chloro-2-benzoylpyrrole as the major product. 4,5-Dihalopyrroles in good yields are obtained with an excess of halogenating agent.