Search results for "chemistry [Water]"
showing 10 items of 2369 documents
Synthesis of aryl azides: A probe reaction to study the synergetic action of ultrasounds and ionic liquids
2011
Abstract The combined effect of ultrasounds and ionic liquids was used to perform the synthesis of aryl azides by nucleophilic aromatic substitution in ionic liquid/[1-butyl-3-methylimidazolium][N 3 ] binary mixtures. The ultrasounds efficiency was analyzed as a function of the substrate and of the ionic liquid structure. In the first case, both 6π and 10π electrons aryl halides were considered. As far as the ionic liquid structure is concerned, both aromatic and aliphatic ionic liquids were taken into account. Among aromatic cations, the effects due to different ability in giving hydrogen bond or π–π interactions were considered. The use of a geminal ionic liquid having an aromatic spacer …
Chiral donor–π-acceptor azobenzene dyes
2009
Abstract Four chiral donor–π-acceptor azobenzene dye conjugates were synthesized and characterized. Chiral moieties, namely (S)-(+)-2-(6-methoxy-2-naphthyl)propionic acid (naproxen) and (S)-2-aminopropionic acid ( l -alanine), were attached to either the donor end or the acceptor site of the azo compound using ester or amide bonds, respectively. The structures of the molecules were verified using 1H NMR, 13C NMR and ESI TOF mass spectrometry; spectral properties were evaluated with UV–vis and CD spectrometry whilst thermal stability was determined by TGA. The compounds displayed a broad absorption maximum in the visible region between 433 and 483 nm. All compounds showed relatively high the…
Bader’s topological analysis of the electron density in the pressure-induced phase transitions/amorphization in α-quartz from the catastrophe theory …
2013
In this work, the Bader's topological analysis of the electron density, coupled with Thom's catastrophe theory, was used to characterize the pressure-induced transformations in α-quartz. In particular, ab initio calculations of the α-quartz structures in the range 0-105 Gpa have been performed at the HF/DFT exchange-correlation terms level, using Hamiltonians based on a WC1LYP hybrid scheme. The electron densities calculated throughout the ab initio wave functions have been analysed by means of the Bader's theory, seeking for some catastrophic mechanism in the sense of Thom's theory. The analysis mainly showed that there is a typical fold catastrophe feature involving an O-O interaction at …
The pressure-induced ringwoodite to Mg-perovskite and periclase post-spinel phase transition: a Bader’s topological analysis of the ab initio electro…
2011
In order to characterize the pressure-induced decomposition of ringwoodite (c-Mg2SiO4), the topological analysis of the electron density q(r), based upon the theory of atoms in molecules (AIM) developed by Bader in the framework of the catastrophe theory, has been performed. Calculations have been carried out by means of the ab initio CRYSTAL09 code at the HF/DFT level, using Hamiltonians based on the Becke- LYP scheme containing hybrid Hartree– Fock/density functional exchange–correlation terms. The equation of state at 0 K has been constructed for the three phases involved in the post-spinel phase transition (ringwoodite -> Mg-perovskite + periclase) occurring at the transition zone–lower…
CoOx catalysts supported on alumina and alumina-baria: influence of the support on the cobalt species and their activity in NO reduction by C3H6 in l…
2003
Abstract CoO x catalysts (Co 1 and 3 wt.%) were prepared by incipient-wetness impregnation of the supports, Al 2 O 3 and Al 2 O 3 (80 wt.%)-BaO (20 wt.%), and calcined at 500 and 800 °C. The samples were characterized by X-ray diffraction (XRD) and BET techniques. H 2 -temperature programmed reduction (TPR) and UV-Vis diffuse reflectance spectroscopy (DRS) spectra were recorded with the aim to identify the different Co species formed. The presence of Co 2+ species tetrahedrally and octahedrally coordinated appears strongly influenced by the nature of the support and the cobalt content. Co 3 O 4 particles were detected after calcination at 500 °C, a successive treatment at 800 °C promotes th…
Thermal stability, structural properties and catalytic activity of Pd catalysts supported on Al2O3–CeO2–BaO mixed oxides prepared by sol–gel method
2003
Abstract Al2O3–CeO2–BaO oxides with constant Al/Ba mass ratio and increasing cerium content were prepared, using the sol–gel procedure, and calcined at 1000 °C for 5 h. The influence of barium oxide on the thermal stability and on the morphological and structural properties of the corresponding supports, in terms of increasing surface area of alumina and ceria dispersion, was studied. The corresponding Pd (1 wt.%) catalysts were prepared by a stepwise impregnation method with a solution of palladium acetylacetonate in benzene. Palladium was introduced in two sequential steps by impregnation 0.5 wt.% of Pd each time. The structural and textural properties of the materials were studied by X-r…
Petrogenetic evolution of metabasalts and metakomatiites of the lower Onverwacht Group, Barberton Greenstone Belt (South Africa)
2019
A well-preserved sequence, by Archean standards, of mantle-derived metabasalts and metakomatiites forms large parts of the lower Onverwacht Group of the Barberton Greenstone Belt (South Africa). To elucidate the origin of mafic and ultramafic rocks from this 3.55 to 3.45 Ga sequence, we present a comprehensive geochemical dataset including major and trace elements as well as Lu-Hf and Sm-Nd isotope compositions for a variety of metavolcanic rocks. These include metabasalts of the amphibolite-facies Sandspruit and Theespruit Formations as well as metabasalts and metakomatiites of the lower greenschist-facies Komati Formation. Based on their incompatible trace element patterns, the basalts of…
Coupled silicon-oxygen isotope fractionation traces Archaean silicification
2011
International audience; Silica alteration zones and cherts are a conspicuous feature of Archaean greenstone belts worldwide and provide evidence of extensive mobilisation of silica in the marine environment of the early Earth. In order to understand the process(es) of silicification we measured the silicon and oxygen isotope composition of sections of variably silicified basalts and overlying bedded cherts from the Theespruit, Hooggenoeg and Kromberg Formations of the Barberton Greenstone Belt, South Africa.The δ30Si and δ18O values of bulk rock increase with increasing amount of silicification from unsilicified basalts (-0.64‰ 30Si 18O 30Si and δ18O values as high as + 0.81‰ and + 15.6‰, r…
Investigation of Li/Ca variations in aragonitic shells of the ocean quahogArctica islandica, northeast Iceland
2009
Interannual and intra-annual variations in lithium-to-calcium ratio were investigated with high temporal resolution in the aragonitic outer shell layer of juvenile Arctica islandica (Mollusca; Bivalvia) collected alive in 2006 off northeast Iceland. Li/Ca shell ranged between 7.00 and 11.12 µmol mol -1 and presented well-marked seasonal cycles with minimum values recorded at the annual growth lines; a general pattern was a progressive increase in Li/Ca shell from March to May, followed by a plateau in June and a decrease down to minimum values in July-August. Li/Ca shell was correlated with d 18 O shell -derived temperature, but the strength of this relationship was weak ( r 2 p shell in A.…
Evidence of deep magma degassing and ascent by geochemistry of peripheral gas emissions at Mount Etna (Italy): Assessment of the magmatic reservoir p…
2003
[1] Five gas discharges in the area of Mount Etna volcano (Italy) and in the near Hyblean plateau have been monitored since 1996. All the emissions displayed low contributions from crustal fluids, whereas magmatic gases were the main component. Selective dissolution of these gases into hydrothermal aquifers has been recognized and modeled, allowing us to calculate the original composition of the magma-released gases. The inferred composition of the magmatic gases exhibits synchronous variations of He/Ne and He/CO2 ratios, which are coherent with the magma degassing process. On the basis of numerical simulations of volatile degassing from Etnean basalts we have computed the initial and final…