Search results for "BD"
showing 10 items of 3363 documents
DFT Study on the Interaction of Tris(benzene-1,2-dithiolato)molybdenum Complex with Water. A Hydrolysis Mechanism Involving a Feasible Seven-Coordina…
2016
In the present work, the reactivity of the tris(benzene-1,2-dithiolato)molybdenum complex ([Mo(bdt)3]) toward water is studied by means of the density functional theory (DFT). DFT calculations were performed using the M06, B3P86, and B3PW91 hybrid functionals for comparison purposes. The M06 method was employed to elucidate the reaction pathway, relative stability of the intermediate products, nature of the Mo–S bond cleavage, and electronic structure of the involved molybdenum species. This functional was also used to study the transference of electrons from the molybdenum center toward the ligands. The reaction pathway confirms that [Mo(bdt)3] undergoes hydrolysis, yielding dihydroxo-bis(…
A reinvestigation of compound CpMo(PMe3)2(CH3)2: Alkylation by single electron transfer and radical addition?
2001
International audience; The synthesis of the half-sandwich molybdenum(III) diphosphine dimethyl complex CpMo(PMe3)2(CH3)2 has been reinvestigated. The compound was obtained from the corresponding dichloro complex CpMo(PMe3)2Cl2 and methyllithium at low temperatures and isolated as a crystalline product by conducting all operations at temperatures lower than −10 °C. The complex is thermally unstable at room temperature but has been fully characterised by EPR spectroscopy, cyclic voltammetry and X-ray diffraction. The formation reaction is retarded by excess phosphine. On the basis of this and other related observations, a mechanism involving phosphine pre-dissociation followed by single elec…
Budyko’s Based Method for Annual Runoff Characterization across Different Climatic Areas: an Application to United States
2018
Runoff data knowledge is of fundamental importance for a wide range of hydrological, ecological, and socioeconomic applications. The reconstruction of annual runoff is a fundamental task for several activities related to water resources management, especially for ungauged basins. At catchment scales, the Budyko's framework provides an extremely useful and, in some cases, accurate estimation of the long-term partitioning of precipitation into evapotranspiration and runoff as a function of the prevailing climatic conditions. Recently the same long-term partitioning rules have been successfully used to describe water partitioning also at the annual scale and calculate the annual runoff distrib…
Partitioning of nitrogen during melting and recycling in subduction zones and the evolution of atmospheric nitrogen
2019
Abstract The subduction of sediment connects the surface nitrogen cycle to that of the deep Earth. To understand the evolution of nitrogen in the atmosphere, the behavior of nitrogen during the subduction and melting of subducted sediments has to be estimated. This study presents high-pressure experimental measurements of the partitioning of nitrogen during the melting of sediments at sub-arc depths. For quantitative analysis of nitrogen in minerals and glasses, we calibrated the electron probe micro-analyzer on synthetic ammonium feldspar to measure nitrogen concentrations as low as 500 μg g−1. Nitrogen abundances in melt and mica are used together with mass balance calculations to determi…
The effect of rheological approximations in 3-D numerical simulations of subduction and collision
2018
Abstract Subduction and collision zones evolve differently from one another due to different rheological properties, different amounts of regional isostatic compensation, and the different mechanisms by which forces are applied to the convergent plates. The rheology of mantle and lithosphere is known to have the largest influence on the dynamics of subduction and continental collision. However, previous 3-D geodynamic models of subduction/collision processes have used various rheological approximations, making their results difficult to compare, since there is no clear understanding on the extent of these approximations on the dynamics. Here, we test the effect of rheological approximations…
Dukono, the predominant source of volcanic degassing in Indonesia, sustained by a depleted Indian-MORB
2017
Co-auteur étranger; International audience; Located on Halmahera island, Dukono is among the least known volcanoes in Indonesia. A compilation of the rare available reports indicates that this remote and hardly accessible volcano has been regularly in eruption since 1933, and has undergone nearly continuous eruptive manifestation over the last decade. The first study of its gas emissions, presented in this work, highlights a huge magmatic volatile contribution into the atmosphere, with an estimated annual output of about 290 kt of SO2, 5000 kt of H2O, 88 kt of CO2, 5 kt of H2S and 7 kt of H2. Assuming these figures are representative of the long-term continuous eruptive activity, then Dukon…
Noble gas magmatic signature of the Andean Northern Volcanic Zone from fluid inclusions in minerals
2021
Trace volatile elements like He are key for understanding the mantle source signature of magmas and to better constrain the relative roles of subduction and crustal processes to the variability of along-arc chemical and isotopic signatures of magmatic fluids. Here we report on noble gas abundances and isotopic data of Fluid Inclusions (FIs) in eruptive products and/or fumarolic gases from the Colombia-Ecuador segment of Andean Northern Volcanic Zone (NVZ). FIs in olivine phenocrysts from Ecuador (El Reventador, Cotopaxi and Tungurahua) yield air-normalized corrected He-3/He-4 ratios of 7.0-7.4 R-A, within the MORB range (8 +/- 1 R-A). With exception of the Cotopaxi lavas (opx = 50 km at the…
GIGJ: a crustal gravity model of the Guangdong Province for predicting the geoneutrino signal at the JUNO experiment
2019
Gravimetric methods are expected to play a decisive role in geophysical modeling of the regional crustal structure applied to geoneutrino studies. GIGJ (GOCE Inversion for Geoneutrinos at JUNO) is a 3D numerical model constituted by ~46 x 10$^{3}$ voxels of 50 x 50 x 0.1 km, built by inverting gravimetric data over the 6{\deg} x 4{\deg} area centered at the Jiangmen Underground Neutrino Observatory (JUNO) experiment, currently under construction in the Guangdong Province (China). The a-priori modeling is based on the adoption of deep seismic sounding profiles, receiver functions, teleseismic P-wave velocity models and Moho depth maps, according to their own accuracy and spatial resolution. …
Is there a global carbonate layer in the oceanic mantle?
2021
co-auteur étranger; International audience; Previous modeling of carbonate subduction by high‐pressure experimentation has allowed to propose scenarios for bulk carbon return to the mantle, but the detailed transfer mechanisms have seldom been studied. We monitored carbonate – silicate reactions by combining high‐pressure experiments and synchrotron‐based x‐ray diffraction. Carbonates break down at moderate pressure and high temperature and CO2 is trapped at grain boundaries. Further isothermal compression yields melting, which may control continuous carbon introduction, first in the mantle wedge, and next, away from the wedge. Carbon presence has been discussed in a variety of magmatic con…
The imprint of subduction fluids on subducted MORB-derived melts (Sierra del Convento Mélange, Cuba)
2011
International audience; Major and trace element signatures and Sr-Nd-Pb isotope data for muscovite (Ms)-bearing amphibolite blocks and associated muscovite-bearing trondhjemite and quartz-muscovite rocks from the Sierra del Convento melange (eastern Cuba) indicate that Proto-Caribbean oceanic crust underwent wet partial melting processes during Mesozoic subduction and after accretion to the upper plate. Trace element normalized patterns of Ms-bearing amphibolites are enriched in light rare earth elements (LREE) and large-ion lithophile elements (LILE) and evidence variable trace element transfer from the Proto-Caribbean subducting slab to the mantle wedge. Ms-bearing trondhjemites show LREE…