Search results for "oxygen atom"
showing 10 items of 40 documents
A chiral diamine bis-phenolate complex of dioxomolybdenum(VI)
2009
Abstract A new dioxomolybdenum(VI) complex with a chiral tetradentate ligand is reported. The tripodal ligand containing two nitrogen atoms and two phenolic oxygen atoms was synthesized starting from a chiral diamine precursor. Further reaction with [MoO2(acac)2] yielded a monomeric molybdenum complex as a bright yellow solid. The structures of the molybdenum complex and the free diamine bis-phenol ligand were determined by X-ray diffraction.
Kinetic energy and radial momentum distribution of hydrogen and oxygen atoms of water confined in silica hydrogel in the temperature interval 170–325…
2019
Water is an ubiquitous liquid and it is necessary for life;. Studies on water are therefore of obvious scientific and .... technological relevance. In view of its peculiar physicalproperties (the so-called water anomalies, particularly relevant at low temperatures [1]), studies on water structureand dynamics in ample temperature intervals, covering also the supercooling region, have attracted much interest in recent years. In particular, studies focused on the supercooled phase are important in order to test theories and hypotheses[2,3], including the liquid-liquid phase transition hypothesis [4-6] and the related fragile-to-strong crossover observed inwater confined in silica matrices and …
Polychlorinated Dibenzothiophenes (PCDTs), Thianthrenes (PCTAs) and Their Alkylated Derivatives
2000
Polychlorinated dibenzothiophenes (PCDTs) and polychlorinated thianthrenes (PCTAs) are interesting compounds due to their structural similarity with polychlorinated dibenzofurans (PCDFs) and polychlorinated dibenzo-p-dioxins (PCDDs). PCDTs are sulfur analogues of PCDFs and PCTAs are sulfur analogues of PCDDs. PCDTs and PCTAs are probably formed by processes similar to the formation of PCDFs and PCDDs. PCDTs were first detected in the environment in 1986. Since then PCDTs have been analyzed in samples from combustion and metallurgy, sediments, pulp mill effluents, and in aquatic biota. Combustion and metallurgy seem to be the major sources of PCDTs in the environment. PCDTs and PCTAs are ana…
Diffusion and Reactions of Photoinduced Interstitial Oxygen Atoms in Amorphous SiO2 Impregnated with 18O-Labeled Interstitial Oxygen Molecules
2014
Both diffusion and reactions of interstitial oxygen atoms (O0) in amorphous SiO2 (a-SiO2) were examined using oxygen-excess a-SiO2 containing 18O-labeled interstitial oxygen molecules (O2) and exposed to F2 laser light (hν = 7.9 eV). Both the F2 laser photolysis of interstitial O2 at 77 K and subsequent heat treatment at ≳200 °C give rise to oxygen exchange between residual interstitial O2 and oxygen atoms in the a-SiO2 network, and these temperatures are far lower than the temperature at which conventional thermal network-interstitial oxygen exchange in unirradiated a-SiO2 occurs (≳700 °C). However, at the initial stage of the low-temperature F2 laser photolysis, an efficient formation of …
Recent advanced in bioactive systems containing pyrazole fused with a five membered heterocycle
2015
In this review we report the recent advances in bioactive system containing pyrazole fused with a five membered heterocycle, covering the time span of the last decade. All of them are represented around the common structure of the pyrazole ring fused with another five membered heterocycle containing the nitrogen, sulfur and oxygen atoms in all their possible combinations. The classification we have used is based in terms of the therapeutic area providing, when possible, some general conclusions on the targets and mechanisms of action as well as the structure-activity relationships of the molecules.
Local structure aroundEr3+inSiO2−HfO2glassy waveguides using EXAFS
2007
${\mathrm{Er}}^{3+}$-doped $\mathrm{Si}{\mathrm{O}}_{2}\text{\ensuremath{-}}\mathrm{Hf}{\mathrm{O}}_{2}$ glassy waveguides with $\mathrm{Hf}{\mathrm{O}}_{2}$ concentrations ranging from $10\phantom{\rule{0.3em}{0ex}}\text{to}\phantom{\rule{0.3em}{0ex}}50\phantom{\rule{0.3em}{0ex}}\mathrm{mol}\phantom{\rule{0.2em}{0ex}}%$ were prepared using the sol-gel route and deposited on $v\text{\ensuremath{-}}\mathrm{Si}{\mathrm{O}}_{2}$ substrates using the dip-coating technique. The local environment around ${\mathrm{Er}}^{3+}$ ions was determined from Er ${L}_{3}$-edge extended x-ray-absorption fine-structure (EXAFS) measurements. The first coordination shell around ${\mathrm{Er}}^{3+}$ ions is comp…
Confined Pt-1(1+) Water Clusters in a MOF Catalyze the Low-Temperature Water-Gas Shift Reaction with both CO2 Oxygen Atoms Coming from Water
2018
[EN] The synthesis and reactivity of single metal atoms in a low-valence state bound to just water, rather than to organic ligands or surfaces, is a major experimental challenge. Herein, we show a gram-scale wet synthesis of Pt-1(1+) stabilized in a confined space by a crystallographically well-defined first water sphere, and with a second coordination sphere linked to a metal-organic framework (MOF) through electrostatic and H-bonding interactions. The role of the water cluster is not only isolating and stabilizing the Pt atoms, but also regulating the charge of the metal and the adsorption of reactants. This is shown for the low-temperature water-gas shift reaction (WGSR: CO + H2O CO2 + H…
A theoretical study of the gas-phase chemi-ionization reaction between uranium and oxygen atoms
2005
The U+O chemi-ionization reaction has been investigated by quantum chemical methods. Potential-energy curves have been calculated for several electronic states of UO and UO+. Comparison with the available spectroscopic and thermodynamic values for these species is reported and a mechanism for the chemi-ionization reaction U+O -> UO++e(-) is proposed. The U+O and Sm+O chemi-ionization reactions are the first two metal-plus-oxidant chemi-ionization reactions to be studied theoretically in this way.
Densified low-hygroscopic form of P2O5 glass
2011
P2O5 compound is an archetypical glass-forming oxide with a record-high hygroscopicity, which makes both the study and potential industrial uses of the glass extremely difficult. We found that the quenching from the P2O5 melt under ultrahigh pressures enables obtaining densified P2O5 glasses with a residual densification up to 12% at normal conditions. These glasses have a low hygroscopicity and can exist under air conditions for several weeks. An examination of the structure of the new form of P2O5 glass reveals a significant increase in neighbors of terminal oxygen atoms in the second coordination sphere and a cardinal decrease of the volume of nanovoids in the glassy matrix. The research…
Quantum Dynamics of the 18O + 36O2 Collision Process
2015
We report full quantum cross sections and rate constants for the (18)O + (36)O2 → (36)O2 + (18)O collision process. This constitutes to the best of our knowledge the first dynamical study of the (18)O(18)O(18)O system, with three identical (18)O oxygen atoms. We emphasize the comparison with the (16)O + (32)O2 collision as this latter presents the exact same features as the one treated here, except the consistent change of mass for all three atoms. We find very similar behaviors in the cross sections, and we confirm that the rates are faster when three identical nuclei are involved. In particular, we cannot dynamically study this system with classical trajectory methods, and we have to incl…