7 resultados para Aromatics

em QUB Research Portal - Research Directory and Institutional Repository for Queen's University Belfast


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Heating 2,5-di-O-methanesulfonyl-1,4:3,6-dianhydro-D-sorbitol (1) in a range of solvents led to the formation of a gel state at low concentrations. 1 was found to gel aromatics, alcohols and water. The structure of 1 in the solid state was solved by single crystal X-ray crystallography; no strong hydrogen bonds or associated solvents were found in the crystal. Electron micrographs revealed the morphology of the gels to be predominantly rod-like. The ethanol alcogel was used to template silica by sol-gel transcription.

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Liquid charge-transfer (CT) complexes were observed to form on contacting electron-rich aromatics with electron withdrawing group appended 1-alkyl-4-cyanopyridinium ionic liquids (ILs). Cooling below the melting point of the ionic liquid resulted in crystallisation of ionic liquid from the complex for 2-cyano and 3-cyano pyridinium isomers and in the formation of a 1 : 1 IL : aromatic crystalline CT-complex with the 4-cyanopyridinium isomer. The liquid structure of a 1 : 1 mixture of 1-methyl-4-cyanopyridinium bis{(trifluoromethyl)sulfonyl} imide with 1-methylnaphthalene has been probed by neutron diffraction experiments and molecular dynamics simulations. A high degree of correlation between the experimental data and the simulations was found with a significant displacement of the anions from around the cation by the aromatic species and the resulting structure having pi-pi stacks between the cations and the aromatic.

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Samples of Zn/H-ZSM-5 zeolite were prepared by impregnation of the parent zeolite with Zn(NO3)(2). The state of zinc in the samples was analyzed by XPS measurements, (ald the degree of reduction for the zinc oxide on the ZSM-5 zeolite surface in hydrogen atmosphere was determined, as well as the influence of this reducing treatment upon the activity and selectivity for aromatics of zeolites in aromatization of cyclohexane. It resulted that the degree of reduction depends on the concentration of zinc in the zeolite and is influenced by the presence of alumina binder. The results of the activity and selectivity to aromatics were correlated with the reduction of zinc oxide.

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Growth and metabolism of fungi can be curtailed by chaotropic solutes and hydrophobic substances, both of which can weaken or inhibit non-covalent interactions within and between macromolecular systems. Here we explore the potential to utilize the fungistatic and fungicidal activities of such stressors as the basis for commercial formulations. A method was developed for the quantification of chaotropicity, which can be used for chemically diverse substances, in order elucidate roles of chaotropicity and hydrophobicity in microbial ecology (both of which are sufficiently potent to limit the Earth’s microbial biosphere). A large number of naturally occurring substances act as chaotropic or hydrophobic stressors including aliphatic alcohols, salts such as MgCl2, aromatics such as phenol, and hydrocarbons such as hexane and octene. We suggest that these stress parameters provide the (hitherto unidentified) modes-of-action for some extant antifungal products. The findings are discussed in relation to the development of a new generation of antifungals.

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The hydrogenation of 4-phenyl-2-butanone over Pt/TiO2 and Pt/SiO2 catalysts has been performed in a range of solvents and it has been observed that the solvent impacted on the selectivity of ketone and aromatic ring hydrogenation as well as the overall TOF of the titania catalyst with no solvent effect on selectivity observed using the silica supported catalyst where ring hydrogenation was favored. For the titania catalyst, alkanes were found to favor ring hydrogenation whereas aromatics and alcohols led to carbonyl hydrogenation. A two-site catalyst model is proposed whereby the aromatic ring hydrogenation occurs over the metal sites while carbonyl hydrogenation is thought to occur predominantly at interfacial sites, with oxygen vacancies in the titania support activating the carbonyl. The effect of the solvent on the hydrogenation reaction over the titania catalyst was related to competition for the active sites between solvent and 4-phenyl-2-butanone.

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Porous manganese oxide (OMS-2) and platinum supported on OMS-2 catalysts have been shown to facilitate the hydrogenation of the nitro group on chloronitrobenzene to give chloroaniline with no dehalogenation. Complete conversion was obtained within 2 h at 25 [degree]C and, although the rate of reaction increased with increasing temperature up to 100 [degree]C, the selectivity to chloroaniline remained at 99.0%. Use of Pd/OMS-2 or Pt/Al2O3 resulted in significant dechlorination even at 25 [degree]C and 2 bar hydrogen pressure giving selectivity to chloroaniline of 34.5% and 77.8%, respectively, at complete conversion. This demonstrates the potential of using platinum group metal free catalysts for the selective hydrogenation of halogenated aromatics. Two pathways were observed for the analogous nitrobenzene hydrogenation depending on the catalyst used. The hydrogenation of nitrobenzene was found to follow a direct pathway to aniline and nitrosobenzene over Pd/OMS-2 in contrast to the OMS and Pt/OMS-2 catalysts which resulted in formation of nitrosobenzene, azoxybenzene and azobenzene/hydrazobenzene intermediates before complete conversion to aniline. These results indicate that for the Pt/OMS-2 the hydrogenation proceeds predominantly over the support with the metal acting to dissociate the hydrogen. In the case of the Pd/OMS-2 both the hydrogenation and the hydrogen adsorption occur on the metal sites.