Search results for "Rare gas"

Microscopic study of He2-SF6 trimers

2003

The He2-SF6 trimers, in their different He isotopic combinations, are studied in the framework of both the correlated Jastrow approach and the correlated hyperspherical harmonics (CHH) expansion method. The energetics and structure of the He-SF6 dimers are analyzed, and the existence of a characteristic rotational band in the excitation spectrum is discussed, as well as the isotopic differences. The binding energies and the spatial properties of the trimers, in their ground and lowest lying excited states, obtained by the Jastrow ansatz are in excellent agreement with the results of the converged CHH expansion. The introduction of the He-He correlation makes all trimers bound by largely sup…

Electron drift properties in high pressure gaseous xenon

2018

[EN] Gaseous time projection chambers (TPC) are a very attractive detector technology for particle tracking. Characterization of both drift velocity and di¿usion is of great importance to correctly assess their tracking capabilities. NEXT-White is a High Pressure Xenon gas TPC with electroluminescent ampli¿cation, a 1:2 scale model of the future NEXT-100detector, which will be dedicated to neutrinoless double beta decay searches. NEXT-White has been operating at Canfranc Underground Laboratory (LSC) since December2016. The drift parameters have been measured using 83mKr for a range of reduced drift ¿elds at two di¿erent pressure regimes, namely 7.2 bar and 9.1 bar. Theresults have been comp…

Heating ofAl13−andAl14clusters

2001

Dynamical properties of ${\mathrm{Al}}_{13}^{\ensuremath{-}}$ and ${\mathrm{Al}}_{14}$ clusters at a high-temperature regime are studied using a density functional theory based first-principles simulations method. During the heating ${\mathrm{Al}}_{13}^{\ensuremath{-}}$ shows a significantly different behavior than ${\mathrm{Al}}_{14}$ due to its double-magic nature. We also demonstrate that it is hard to assign any distinct melting transition for the studied cluster sizes. For ${\mathrm{Al}}_{13}^{\ensuremath{-}}$ we observe a solidlike behavior well after the melting temperature of bulk aluminum. In contradiction with the rare gas clusters we notice that the outermost atom of icosahedral …

Coherence and control of molecular dynamics in rare gas matrices

2007

EPR Studies of Atomic Impurities in Rare Gas Matrices

2003

In this article we give an overview of the matrix isolation technique combined with electron paramagnetic resonance (EPR) detection for embedded atomic impurities in solid rare gases. A special emphasis is put on impurity – matrix coupling effects combining both experimental and theoretical approaches.

Raman scattering in hcp rare gas solids under pressure

2008

We present Raman measurements of hcp rare gas solids (RGSs) at megabar pressures together with lattice dynamics calculations. The ${E}_{2g}$ phonon was measured in Xe up to metallization near 135 GPa and in Ar up to 58 GPa. A comparative analysis of first-principles and semiempirical calculations shows that three-body forces contribute to the energetics at low pressures and that at volume compressions greater than $\ensuremath{\sim}2.6$ higher-order many-body forces become important. The distinct behavior of He under pressure relative to that of the rest of the RGS family is discussed.

Electronic Spectroscopy of C2 in Solid Rare Gas Matrixes

2006

Electronic spectroscopy of the C(2) molecule is investigated in Ar, Kr, and Xe matrixes in the 150-500 nm range. In the Ar matrix, the D ((1)Sigma(u)(+)) <-- ((1)Sigma(g)(+)) Mulliken band near 240 nm is the sole absorption in the UV range, whereas in the Kr matrix additional bands in the 188-209 nm range are assigned to the Kr(n)()(+)C(2)(-) <-- Kr(n)()C(2) charge-transfer absorptions. Because of the formation of a bound C(2)Xe species, the spectral observations in the Xe matrix differ dramatically from the lighter rare gases: the Mulliken band is absent and new bands appear near 300 and 423 nm. The latter is assigned to the forbidden B'((1)Sigma(g)(+)) <-- X ((1)Sigma(g)(+)) transition, b…

Applications of Molecular Modeling in the Study of Small Molecules (N2, O2, Rare Gas) Interactions with Complex Molecular Systems Like Zeolites and M…

1996

Measurement of vibrational line profiles inH2–rare-gas mixtures: Determination of the speed dependence of the line shift

1994

High-resolution inverse Raman experiments for ${\mathrm{H}}_{2}$ diluted in Ar have revealed unusual Q-line profile features at various concentrations which have been interpreted in terms of speed-changing collisions. A more general approach including both speed- and phase-changing collisions has led to an alternative interpretation of these features. In order to further analyze the role of these various collisional mechanisms, new experiments have been performed. Pure ${\mathrm{H}}_{2}$ and ${\mathrm{H}}_{2}$ perturbed by Ne, Ar, and Xe have been investigated at various temperatures between 295 and 800 K.

Photodissociation of Formaldehyde in Rare Gas (Xe, Kr, Ar, and Ne) Matrixes

2003

Infrared (IR) spectroscopy and electron paramagnetic resonance (EPR) are combined to study photodissociation of formaldehyde at photolysis wavelengths 308, 248, and 193 nm in rare gas matrixes. The...