Search results for "Quadrupole"
showing 10 items of 460 documents
On-line implementation and first operation of the Laser Ion Source and Trap at ISOLDE/CERN
2015
13 pags.; 12 figs.; 2 tab.; Open Access funded by CERN
EXTENDED HÜCKEL MOLECULAR ORBITAL CALCULATION OF THE TEMPERATURE DEPENDENCE OF THE QUADRUPOLE SPLITTING OF [Fe(H2O)6] SiF6 AND KFeCl3
1976
A number of papers have appeared in which the temperature dependence of the quadrupole splitting has been treated, whereby covalency effects have been considered by introducing the orbital reduction factor k, with k ranging from 1.-0.7. There are, however, two problems : (1) k is unisotropic if the symmetry is lower than cubic, (2) the spin orbit coupling of the ligand electrons are usually neglected. These two problems have been treated here by using SCCEHMO [1] calculations on two examples, [Fe(H2O)6]SiF6 and KFeCl3, which have been previously delt with by other authors using ligand field theory [2, 3]. For both compounds the differences between the measured and the calculated quadrupole …
Line broadening coefficient calculations for methane perturbed by nitrogen
2010
Abstract We report semiclassical line broadening calculations for methane perturbed by nitrogen at room temperature. For this, we have developed a symmetrized version of the Robert and Bonamy theory. The interaction potential was built from electrostatic (octopole and hexadecapole for methane, quadrupole for nitrogen) and atom–atom contributions. The relative (classical) trajectories of the molecules were computed in the frame of the usual parabolic model, through analytical formula. High orders of developments had to be used for the short range molecular interactions. As a consequence, a combination of symbolic computation and source code generation was employed to implement practical calc…
Calculated line broadening parameters for methane perturbed by diatomic molecules
2013
International audience; We report semiclassical line broadening calculations for methane perturbed by diatomic molecules: nitrogen, N2, oxygen, O2 and hydrogen, H2, at room temperature. For this, we have developed a symmetrized version of the Robert and Bonamy theory. The interaction potential was built from electrostatic (octopole and hexadecapole for methane, quadrupole for the diatomic molecules) and atom-atom contributions. The relative (classical) trajectories of the molecules were computed in the frame of the usual parabolic model, through analytical formula. High orders of developments had to be used for the short range molecular interactions in the case of N2 and O2. For H2, a lower…
Targeting metabolomics analysis of the sunscreen agent 2-ethylhexyl 4-(N,N-dimethylamino)benzoate in human urine by automated on-line solid-phase ext…
2011
The in vivo metabolism of the xenobiotic agent 2-ethylhexyl 4-(N,N-dimethylamino)benzoate (EDP), a UV filter commonly used in sunscreen cosmetic products, was studied by targeting metabolomics analysis in human urine. The metabolomic study involved the use of urine from male and female volunteers before and after application of an EDP-containing sunscreen cosmetic. The metabolism of EDP in urine was studied by using the triple quadrupole detector in a combination of Precursor Ion Scanning and Neutral Loss Scanning modes, with and without enzymatic hydrolysis. Detected metabolites were subsequently confirmed as glucuronide conjugates of 4-(N,N-dimethylamino)benzoic acid and 4-(N-methylamino)…
On simfitting MER Mössbauer data to characterize Martian hematite
2010
Mossbauer spectra of Eagle Crater outcrop rocks in Meridiani Planum were acquired by the Mars Exploration Rover (MER) Opportunity. Sixty spectra, containing ~20 to 60% hematite by area, were simultultaneously fit (simfit) in a self-consistent manner to a single chi-squared minimum, where relations among parameters from different spectra were defined for both sol (Martian day) and acquisition temperature (200–280 K). Different spectral models were compared, hematite being modeled optimally with two sextets. Sextet S1 (~35% of total sextet area) has narrower linewidths, a larger magnetic hyperfine field, and a quadrupole shift that changes smoothly from positive to negative values as the temp…
Simple Nuclear Structure inCd111–129from Atomic Isomer Shifts
2016
Isomer shifts have been determined in ^{111-129}Cd by high-resolution laser spectroscopy at CERN-ISOLDE. The corresponding mean square charge-radii changes, from the 1/2^{+} and the 3/2^{+} ground states to the 11/2^{-} isomers, have been found to follow a distinct parabolic dependence as a function of the atomic mass number. Since the isomers have been previously associated with simplicity due to the linear mass dependence of their quadrupole moments, the regularity of the isomer shifts suggests a higher order of symmetry affecting the ground states in addition. A comprehensive description assuming nuclear deformation is found to accurately reproduce the radii differences in conjunction wi…
Influence of Co content on structural and magnetic properties of CoxFe84−xNb7B9 alloys
2003
Nanocrystallization of CoxFe84� xNb7B9 (x ¼ 17; 25, 33) alloys has been studied. Crystallization of specimens starts above 4501C. After annealing of specimens in the range 500–7001C, apart from amorphous component and BCC Fe-Co alloy, a non-magnetic component also appears, which is attributed to (Fe1� xCox)2Nb phase with a relative area of about 14%. Decrease of quadrupole splitting with annealing temperature indicates some possible ordering of the nonmagnetic phase. r 2002 Elsevier Science B.V. All rights reserved.
Heat-capacity anomaly due to spin reorientation and thermodynamic functions of ErFeO3 and TmFeO3
2001
Abstract Heat capacities of orthoferrites, ErFeO 3 and TmFeO 3 , have been measured below room temperature by adiabatic calorimetry. A broad but definite anomaly due to the spin reorientation phenomenon was successfully detected in the expected temperature range (ca. 90 K). The results are compared with a vast anomaly reported for YbFeO 3 . The temperature dependence of the electric quadrupole splitting of the Fe nuclear levels was determined by Mossbauer spectroscopy through the spin reorientation. A heat capacity anomaly centered at 3.60 K due to the magnetic ordering of Er 3+ ions was clearly detected. Some Schottky anomalies were resolved and energy splittings involved were roughly esti…
TEXTURE PROBLEMS AND THE GOLDANSKII-KARAGIN EFFECT TREATED BY THE INTENSITY MATRIX METHOD
1979
The texture problem and the Goldanskii-Karyagin effect are easy to survey if the intensities of the transitions are written in terms of the intensity matrix. For pure magnetic and quadrupole interaction the equations are explicitly given.