Search results for "Deute"
showing 10 items of 549 documents
Small Gold Nanoparticles Synthesized with Sodium Citrate and Heavy Water: Insights into the Reaction Mechanism
2010
5 páginas, 3 figuras, 1 esquema.
Volumetric and transport properties of aerosol-OT reversed micelles containing light and heavy water
1992
Densities and viscosities of sodium bis(2-ethylhexyl) sulfosuccinate (AOT in-heptane system containing light and heavy water, as a function of the molar ratio R (R=[H2O or D2O]/[AOT]) were measured at 0, 5, 25 and 40°C. At low R values, the apparent molar volume of deuterium oxide is smaller than that of light water. The difference is related to the strength of the hydrogen bonding H2O and D2O. The viscosities of both H2O-AOT-n-heptane and D2O-AOT-n-heptane systems were explained in terms of intermicellar interactions mainly governed by hydration of the head groups of AOT.
Heptane Adsorption in Silicalite-1: Neutron Scattering Investigation
2007
International audience; Structural properties of confined deuterated n-heptane in silicalite-1 have been investigated by neutron scattering experiments during the adsorption process. At 300 K, the adsorption isotherm shows a sharp inflection at a loading near Nads ) 4 molecules per silicalite-1 unit cell. In addition, the diffusivities obtained from recent QENS data exhibit a loading dependence. Our motivation is to find structural signatures of the peculiar behavior of n-heptane in silicalite-1 and to check the numerous computer simulation findings of this behavior. Our detailed neutron diffraction investigation agrees with the MONO-ORTHO phase transition of the silicalite-1 above a Nads v…
Molecular ND Band Spectroscopy in the Divertor Region of Nitrogen Seeded JET Discharges
2018
In this contribution we present OES measurements in the JET tokamak of the deuterated NH (ND) radical and the correlation between results of those experiments and measurement of ammonia production. The observation region covers most of the divertor and its outer throat. Measurements are performed in different magnetic configurations. The results include temporal and spatial dependence of the molecular emission intensity and study of the emission band shape (vibrational and rotational temperatures) during different JET pulses, with or without nitrogen seeding. Results are a step towards the understanding of nitrogen-containing molecule creation and destruction in the divertor plasma. For com…
Molecular dynamics simulations of elementary chemical processes in liquid water using combined density functional and molecular mechanics potentials.…
1997
The first molecular dynamics (MD) simulation of a chemical process in solution with an ab initio description of the reactant species and a classical representation of the solvent is presented. We study the dynamics of proton (deuterium) transfer in strongly hydrogen-bonded systems characterized by an energy surface presenting a double well separated by a low activation barrier. We have chosen the hydroxyl-water complex in liquid water to analyze the coupling between the reactive system and the environment. The proton is transferred from one well to the other with a frequency close to 1 ps−1 which is comparable to the low-frequency band associated to hindered translations, diffusional transl…
Gas-phase H/D-exchange reactions on resorcinarene and pyrogallarene capsules: Proton transport through a one-dimensional Grotthuss mechanism
2011
Hydrogen/deuterium exchange (HDX) experiments can be used to examine the gas-phase structure of hydrogen-bonded dimeric resorcinarene and pyrogallarene capsules. Already the qualitative comparison of the isotope exchange rates of different host–guest complexes with Cs+, tetramethyl ammonium (TMA+) and tetraethyl ammonium (TEA+) as the guest cations provides insight into the H/D-exchange mechanisms and with it, into the capsules' gas-phase ion structures. The smaller Cs+cations bind inside dimeric capsules with an intact seam of hydrogen bonds between the two monomers. Larger cations such as TEA+ lead to capsules with partially disrupted seams of hydrogen bonds. A fast isotope exchange is on…
Application of gas separation membranes to detritiation systems
2002
The use of gas separation membranes in tritium removal systems has been studied to develop a new detritiation process. The main advantage of this new process is to reduce the number and/or the size of equipments in comparison to conventional detritiation systems. The objective of this study is to choose the best suited membrane for this application. The hydrogen or its isotopes recovery performance of several commercial hollow fiber organic membranes has been analyzed thanks to three devices. Experiments are performed with small quantities of hydrogen gas or deuterium gas or tritium gas in the range representative of the radioactive contamination level in tritium handling gloveboxes. A math…
Deuteron charge radius and Rydberg constant from spectroscopy data in atomic deuterium
2017
We give a pedagogical description of the method to extract the charge radii and Rydberg constant from laser spectroscopy in regular hydrogen (H) and deuterium (D) atoms, that is part of the CODATA least-squares adjustment (LSA) of the fundamental physical constants. We give a deuteron charge radius Rd from D spectroscopy alone of 2.1415(45) fm. This value is independent of the measurements that lead to the proton charge radius, and five times more accurate than the value found in the CODATA Adjustment 10. The improvement is due to the use of a value for the 1S->2S transition in atomic deuterium which can be inferred from published data or found in a PhD thesis.
Deuterium hyperfine splittings in the rotational spectrum of NH2D as revealed by Lamb-dip spectroscopy
2020
Abstract In the context of radio-astronomical observations, laboratory experiments constitute a cornerstone in the interpretation of rich line surveys due to the concomitant presence of numerous emitting molecules. Here, we report the investigation of three different rotational transitions of mono-deuterated ammonia (NH2D), a species of astrophysical interest, for which the contribution of the deuterium nuclear spin to the rotational spectrum has been resolved for the first time in the millimeter- and submillimeter-wave domain. The effect of hyperfine interactions on the rotational spectrum has been unveiled by a combined theoretical and experimental approach. Quantum-chemical calculations …
Host-Guest Complexes of C-Ethyl-2-methylresorcinarene and Aromatic N,N′-Dioxides
2017
The C‐ethyl‐2‐methylresorcinarene (1) forms 1:1 in‐cavity complexes with aromatic N,N′‐dioxides, only if each of the aromatic rings has an N−O group. The structurally different C‐shaped 2,2′‐bipyridine N,N′‐dioxide (2,2′‐BiPyNO) and the linear rod‐shaped 4,4′‐bipyridine N,N′‐dioxide (4,4′‐BiPyNO) both form 1:1 in‐cavity complexes with the host resorcinarene in C4v crown and C2v conformations, respectively. In the solid state, the host–guest interactions between the 1,3‐bis(4‐pyridyl)propane N,N′‐dioxide (BiPyPNO) and the host 1 stabilize the unfavorable anti‐gauche conformation. Contrary to the N,N′‐dioxide guests, the mono‐N‐oxide guest, 4‐phenylpyridine N‐oxide (4PhPyNO), does not form an…