Search results for "Coupled"

Provenance of Early Bronze Age Metal Artefacts in Western Switzerland Using Elemental and Lead Isotopic Compositions

2011

δ30Si and δ29Si Determinations on USGS BHVO-1 and BHVO-2 Reference Materials with a New Configuration on a Nu Plasma Multi-Collector ICP-MS

2008

We report silicon isotopic determinations for USGS rock reference materials BHVO-1 and BHVO-2 using a Nu Plasma multi-collector (MC)-ICP-MS, upgraded with a new adjustable entrance slit, to obtain medium resolution, as well as a stronger primary pump and newly designed sampler and skimmer cones ("B" cones). These settings, combined with the use of collector slits, allowed a resolution to be reached that was sufficient to overcome the (NO)-N-14-O-16 and N-14(2) interferences overlying the Si-30 and the Si-28 peaks, respectively, in an earlier set-up. This enabled accurate measurement of both delta Si-30 and delta Si-29. The delta value is expressed in per mil variation relative to the NBS 28…

Ultra-fast intensified frame images from an electron cyclotron resonance hydrogen plasma at 2.45 GHz: some space distributions of visible and monochr…

2014

First results from an ultra-fast frame image acquisition diagnostic coupled to a 2.45 GHz microwave hydrogen discharge are presented. The plasma reactor has been modified to include a transparent doubled shielded quartz window allowing to viewing the full plasma volume. Pictures describing the breakdown process at 1μs exposure time have been obtained for integrated visible light signal, Balmer-alpha, Balmer-beta lines, and Fulcher-band. Several different plasma emission distributions are reported. The distribution depends on the magnetic field configuration, incident microwave power, and neutral gas pressure. peerReviewed

Perturbative treatment of triple excitations in coupled‐cluster calculations of nuclear magnetic shielding constants

1996

A theory for the calculation of nuclear magnetic shielding constants at the coupled‐cluster singles and doubles level augmented by a perturbative correction for connected triple excitations (CCSD(T)) has been developed and implemented. The approach, which is based on the gauge‐including atomic orbital (GIAO) ansatz, is illustrated by several numerical examples. These include a comparison of CCSD(T) and other highly correlated methods with full configuration interaction for the BH molecule, and a systematic comparison with experiment for HF, H2O,NH3, CH4, N2, CO, HCN, and F2. The results demonstrate the importance of triple excitations in establishing quantitative accuracy. Finally, the abil…

Multi-level coupled cluster theory

2014

We present a general formalism where different levels of coupled cluster theory can be applied to different parts of the molecular system. The system is partitioned into subsystems by Cholesky decomposition of the one-electron Hartree-Fock density matrix. In this way the system can be divided across chemical bonds without discontinuities arising. The coupled cluster wave function is defined in terms of cluster operators for each part and these are determined from a set of coupled equations. The total wave function fulfills the Pauli-principle across all borders and levels of electron correlation. We develop the associated response theory for this multi-level coupled cluster theory and prese…

Addition of thiourea and hydrochloric acid: Accurate nanogram level analysis of mercury in humic-rich natural waters by inductively coupled plasma ma…

2020

Abstract An analytical method was developed for the direct determination of total mercury in natural waters at low ng L−1 level by inductively coupled plasma mass spectrometry (ICP-MS). The presented method overcomes previously observed problems relating to poor spike recoveries by adding 0.12% thiourea in addition to 3% HCl to all samples and standards. The sample preparation is fast and easy to perform by the developed method since it requires only the addition of HCl and thiourea to the water samples. A very low instrument detection limit (0.4 ng L−1) was obtained without time-consuming preconcentration procedures. The accuracy and precision of the developed method were found excellent b…

Determination of 129I/127I isotope ratios in liquid solutions and environmental soil samples by ICP-MS with hexapole collision cell

2003

The determination of I-129 in environmental samples at ultratrace levels is very difficult by ICP-MS due to a high noise caused by Xe impurities in argon plasma gas (interference of Xe-129(+)), possible (IH2+)-I-127 interference and an insufficient abundance ratio sensitivity of the ICP mass spectrometer for I-129/I-127 isotope ratio measurement. A sensitive, powerful and fast analytical technique for iodine isotope ratio measurements in aqueous solutions and contaminated soil samples directly without sample preparation using ICP-MS with a hexapole collision cell (ICP-CC-QMS) was developed. Oxygen is used as reaction and carrier gas for iodine thermal desorption via the gas phase from solid…

Separation of plutonium and neptunium species by capillary electrophoresis-inductively coupled plasma-mass spectrometry and application to natural gr…

2003

Capillary electrophoresis (CE) was coupled to ICPMS in order to combine the good performance of this separation technique with the high sensitivity of the ICPMS for the analysis of plutonium and neptunium oxidation states. The combination of a fused-silica capillary with a MicroMist AR 30-I-FM02 nebulizer and a Cinnabar small-volume cyclonic spray chamber yielded the best separation results. With this setup, it was possible to separate a model element mixture containing neptunium (NpO2(+)), uranium (UO2(2+)), lanthanum (La3+), and thorium (Th4+) in 1 M acetic acid. The same conditions were also suitable for the separation of various oxidation states of plutonium and neptunium in different a…

Improvement of the detection limit for determination of 129I in sediments by quadrupole inductively coupled plasma mass spectrometer with collision c…

2004

The previously developed sample introduction device for the hot extraction of iodine from environmental samples (soils or sediments) and on-line introduction of analyte via the gas phase in quadrupole inductively coupled plasma mass spectrometry with hexapole collision cell (ICP-CC-QMS) was equipped with a cooling finger, which allowed intermediate iodine enrichment and improved the detection limits for I-129 down to 0.4 pg g(-1) without any additional sample preparation. A mixture of oxygen and helium as reaction gases in the hexapole collision cell was used for reducing the disturbing background intensity of Xe-129(+). Oxygen was also used as the carrier gas for iodine thermal desorption …

On-line removal of mass interferences in palladium determination by ICP-MS using modified capillaries coupled to micro-flow nebulizers

2001

This paper describes a novel approach developed for on-line removal of interferences within modified capillaries coupled to micro-flow nebulizers, for palladium determination by inductively coupled plasma mass spectrometry (ICP-MS). A strong cation exchanger [2-(4-chlorosulfophenyl)ethyltrichlorosilane)] was covalently bound to the silica capillary that was coupled to a microconcentric nebulizer (MCN) or to a direct injection nebulizer (DIN). The modified surface of the capillary was able to selectively retain copper and yttrium from aqueous samples at pH 7.5 during the sample introduction step, while Pd was not retained and 105Pd could be determined in the absence of interferent elements. …