Search results for "Krypton"
showing 10 items of 54 documents
Spin-orbit ZORA and four-component Dirac-Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble …
2015
Hartree-Fock and density functional theory with the hybrid B3LYP and general gradient KT2 exchange-correlation functionals were used for nonrelativistic and relativistic nuclear magnetic shielding calculations of helium, neon, argon, krypton, and xenon dimers and free atoms. Relativistic corrections were calculated with the scalar and spin-orbit zeroth-order regular approximation Hamiltonian in combination with the large Slater-type basis set QZ4P as well as with the four-component Dirac-Coulomb Hamiltonian using Dyall's acv4z basis sets. The relativistic corrections to the nuclear magnetic shieldings and chemical shifts are combined with nonrelativistic coupled cluster singles and doubles …
Decay of48-50Ar isotopes
2011
International audience; Information on β-decay properties of neutron-rich 84-05Ar was obtained at the ISOLDE mass-separator facility at CERN using isobaric selectivity. This was achieved by a combination of a plasma-ion source with a cooled transfer line and subsequent mass-separation. Normally, argon beams cannot be mass-separated from intense multi-charged symmetric fission krypton and xenon. Several techniques were used successfully in order to overcome this problem. Implication of the obtained information for a better understanding of the origin of the 48Ca/46Ca isotopic anomaly discovered in inclusions from the Allende meteorite is discussed.
Iodine−Benzene Complex as a Candidate for a Real-Time Control of a Bimolecular Reaction. Spectroscopic Studies of the Properties of the 1:1 Complex I…
2009
The properties of the 1:1 iodine-benzene complex isolated in a solid Kr matrix at low temperatures have been studied using UV-vis absorption, FTIR, resonance Raman, and femtosecond coherent anti-Stokes Raman spectroscopy (fs-CARS). The use of all these techniques on similar samples provides a wide view on the spectroscopic properties of the complex and allows comparison and combination of the results from different methods. The results for the complex cover its structure, the changes in the iodine molecule's vibrational frequencies and electronic absorption spectrum upon complexation, and the dynamics of the complexed I(2) molecule on both ground and excited electronic states. In addition, …
Ellipsometric thickness and coverage of physisorbed layers of Xe, Kr, Ar and N2 on graphite
1990
Multilayer isotherms of Xe, Kr, Ar and N2 physisorbed on graphite (001) have been studied by ellipsometry. It is shown that the model of Dignam and Fedyk provides an excellent basis for the interpretation of the ellipsometric thickness in terms of the coverage and the polarizability of the admolecules. For N2 conclusions concerning the orientation of the molecule are drawn.
Rotation of methyl radicals in a solid krypton matrix
2009
Electron spin resonance (ESR) measurements were carried out to study the rotation of methyl radicals (CH(3)) in a solid krypton matrix at 17-31 K temperature range. The radicals were produced by dissociating methane by plasma bursts generated by a focused 193 nm excimer laser radiation during the krypton gas condensation on the substrate. The ESR spectrum exhibits only isotropic features at the temperature range examined, and the intensity ratio between the symmetric (A) and antisymmetric (E) spin state lines exhibits weaker temperature dependence than in a solid argon matrix. However, the general appearance of the methyl radical spectrum depends strongly on temperature due to the pronounce…
First-principles nonequilibrium Green's-function approach to transient photoabsorption: Application to atoms
2015
We put forward a first-principle NonEquilibrium Green's Function (NEGF) approach to calculate the transient photoabsorption spectrum of optically thin samples. The method can deal with pump fields of arbitrary strength, frequency and duration as well as for overlapping and nonoverlapping pump and probe pulses. The electron-electron repulsion is accounted for by the correlation self-energy, and the resulting numerical scheme deals with matrices that scale quadratically with the system size. Two recent experiments, the first on helium and the second on krypton, are addressed. For the first experiment we explain the bending of the Autler-Townes absorption peaks with increasing the pump-probe d…
Time resolved CARS measurements of I2 in solid Kr
2006
Dephasing is a central concept in condensed phase spectroscopy. It determines how long a system will maintain its coherence. The dephasing time of a system is determined by dynamic intermolecular interactions, and therefore measurements of dephasing time can provide information on interactions and couplings between a molecule and its environment. This chapter illustrates the application of the femtosecond coherent anti-Stokes Raman scattering (CARS) method to investigate the vibrational dephasing of I 2 in solid krypton. Dephasing of vibrational states between v = 2 and v = 16 is studied in the temperature range T = 2.6–32 K. The low vibrational states show dephasing times on the order of a…
Removing krypton from xenon by cryogenic distillation to the ppq level
2017
The XENON1T experiment aims for the direct detection of dark matter in a detector filled with 3.3 tons of liquid xenon. In order to achieve the desired sensitivity, the background induced by radioactive decays inside the detector has to be sufficiently low. One major contributor is the β-emitter 85Kr which is present in the xenon. For XENON1T a concentration of natural krypton in xenon natKr/Xe<200ppq (parts per quadrillion, 1ppq=10-15mol/mol) is required. In this work, the design, construction and test of a novel cryogenic distillation column using the common McCabe–Thiele approach is described. The system demonstrated a krypton reduction factor of 6.4 · 10 5 with thermodynamic stability a…
Femtosecond coherent anti-Stokes Raman-scattering polarization beat spectroscopy of I2–Xe complex in solid krypton
2006
Time-resolved coherent anti-Stokes Raman-scattering (CARS) measurements are carried out to study the interaction between xenon atom and iodine molecule in a solid krypton matrix. Interference between the CARS polarizations of the "free" and complexed iodine molecules is observed, while the quantum beats of the complex are not detected due to low concentration. Vibrational analysis based on the polarization beats yields accurate molecular constants for the I2-Xe complex. The harmonic frequency of the I2-Xe complex is found to be redshifted by 0.90 cm-1 when compared to the free I2, whereas the anharmonicity is approximately the same. The dephasing rate of the complex is found to be somewhat …
Assessing the particle size of a broadly dispersed powder by complementary techniques
1998
The experimental determination of reliable particle size distribution curves and statistical parameters of broad distributions is known to be a difficult task. This problem is addressed here in an attempt to characterize the granularity of three distinct batches of a pharmaceutical powder (fenofibrate from Fournier Laboratories). The methodology consists in comparing the results, expressed in terms of surface based mean diameter, as obtained by three complementary techniques, namely optical microscopy image analysis, laser light low angle diffraction and surface area measurement by krypton physisorption. These techniques are applied in parallel to the material of interest and to a certified…