Search results for "Spectroscopy"
showing 10 items of 10293 documents
Theoretical spectroscopic parameters of the alkali monofluorides LiF, NaF and KF
1992
Abstract Multireference configuration interaction and second-order perturbation theory are used to determine accurate spectroscopic parameters for the ground state of the alkali monofluorides from LiF to KF. Systematic saturation of the spdf subspaces of the atomic basis sets for the electron affinity of fluorine and the ionization potential of the metals have been shown to be more efficient than for the approximate dissociation energies in the molecule. the calculated rotational and vibrational constants and transitions for the three systems show excellent agreement with the expeirmental data.
A review of non-chromatographic methods for speciation analysis.
2008
This manuscript overviews relevant scientific literature concerning speciation of trace elements by using non-chromatographic methods. The main principles of the different strategies proposed in the published works and their advantages and drawbacks are discussed in order to provide to the readers an appropriate picture of the state-of the-art of fast and cheap methodologies available to obtain information about the presence of different chemical forms of trace elements in environmental, clinical and food samples. A selection of the methods proposed for the speciation of the different elements studied was also provided together with their main features.
Tuning the Magnetic Properties of Carbon by Nitrogen Doping of Its Graphene Domains
2015
Here we present the formation of predominantly sp-coordinate carbon with magnetic- and heteroatom-induced structural defects in a graphene lattice by a stoichiometric dehalogenation of perchlorinated (hetero)aromatic precursors [hexachlorobenzene, CCl (HCB), and pentachloropyridine, NCCl (PCP)] with transition metals such as copper in a combustion synthesis. This route allows the build-up of a carbon lattice by a chemistry free of hydrogen and oxygen compared to other pyrolytic approaches and yields either nitrogen-doped or -undoped graphene domains depending on the precursor. The resulting carbon was characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM…
Hot electron injection into aqueous electrolyte solution from thin insulating film-coated electrodes
1998
Hot electron injection into aqueous electrolyte solution was studied with electrochemiluminescence and electron paramagnetic resonance (EPR) methods. Both methods provide further indirect support for the previously proposed hot electron emission mechanisms from thin insulating film-coated electrodes to aqueous electrolyte solution. The results do not rule out the possibility of hydrated electron being as a cathodic intermediate in the reduction reactions at cathodically pulse-polarized thin insulating film-coated electrodes. However, no direct evidence for electrochemical generation of hydrated electrons could be obtained with EPR, only spin-trapping experiments could give information about…
Application of fast solvent extraction processes to studies of exotic nuclides
1998
Fast solvent extraction is a chemical separation method, which can be applied to study exotic nuclides. Since about 1970 the SISAK technique, which is an on-line method based on multi-stage solvent extraction separations, has been successfully used to investigate the nuclear properties of β-decaying nuclides with half-lives down to about one second. During the last decade it has become possible to produce transactinide elements in high enough yields to investigate their chemical properties on a one-atom-at-a-time scale. For this purpose it was necessary to improve and change the detection part of the SISAK system in order to be capable to detect spontaneously fissioning and α-decaying nucli…
Uptake and release kinetics of134Cs by Goldfish (Carassius auratus) and137Cs by Zebra Fish (Brachydanio rerio) in controlled aquatic environment
1994
The uptake and release kinetics of134Cs by Goldfish (Carassius auratus) and137Cs by Zebra Fish (Brachydanio rerio) from aquatic media of different ionic compositions and temperature was studied in controlled laboratory conditions. The accumulation of radiocesium in the case ofBrachydanio rerio is observed to be strongly dependent on the potassium ion concentration of the aquatic medium, but in the case ofCarassius auratus this dependence is quite weak. The biological half-lives of the cesium isotopes incorporated into the fish investigated in the present work vary from 19 to 80 days and are influenced by the temperature and the ionic composition of the aquatic medium.
Test of multielement analysis of bone samples using instrumental neutron activation analysis (INAA) and anti-Compton spectrometry
1997
INAA and anti-Compton spectrometry has been employed in the analysis of test bone samples. Validity and accuracy of the method were checked by the use of two biological reference materials procured from the National Institute of Standards and Technology, USA (NIST) and the International Atomic Energy Agency, Austria (IAEA). NIST 1486 Bone Meal (ca. 200–800 mg) and A-11 Milk Powder (ca. 200–600 mg) samples were irradiated in the 100 kW TRIGA Mainz reactor. Concentrations of 13 elements in both biological reference materials have been determined and were found in good agreement with the certified and provisional values.
Determination of mineral and trace element concentrations in pine needles by ICP-OES: evaluation of different sample pre-treatment methods
2008
In the present study, the determination of mineral and trace elements (Al, B, Ca, Cu, Fe, K, Mg, Mn, Na, P and Zn) from pine needles using three sample pre-treatment methods followed by inductively coupled plasma optical emission spectrometry, was examined. Sample pre-treatment methods tested were microwave digestion, ultrasound-assisted digestion and dry ashing. The new ultrasound-assisted digestion method was optimised by the analysis of the standard reference material (SRM) 1575a (pine needles) sample. The speed of dry ashing method was significantly increased by ultrasound dissolution after ashing. All the ICP-OES measurements were performed in robust plasma conditions which were tested…
Determination of gunshot residues by neutron activation analysis
1973
Systematic investigations of gunshot residues, deposited around the bullet hole, have been carried out. The traces were produced by firing on filter papers from distances of 5 to 200 cm using one rifle and three pistols as arms. Antimony, lead and barium were quantitatively determined after irradiating the samples in the nuclear reactor TRIGA Mainz by measurement of gamma-lines of122mSb,122Sb,207mPo and139Ba. The determinations were made purely instrumentally and-where the half lives were long enough-also after chemical separation of the nuclides. The amount of the elements were determined in dependence of the firing distance and of the area around the bullet hole.
Yttrium Hydrido Complexes that Contain a Less “Constrained Geometry” Ligand: Synthesis, Structure, and Efficient Hydrosilylation Catalysis
2001
σ-Bond metathesis of the new linked amino-cyclopentadiene (C5Me4H)CH2SiMe2NHCMe3 with Y(CH2SiMe3)3(THF)2 gave the alkyl-yttrium complex [Y(η5:η1-C5Me4CH2SiMe2NCMe3)(CH2SiMe3)(THF)] (1) in 66% yield. Compound 1 was characterized by NMR spectroscopy and X-ray crystal structure analysis. By hydrogenolysis, 1 was quantitatively converted into the dimeric hydride [Y(η5:η1-C5Me4CH2SiMe2NCMe3)(THF)(μ-H)]2 (2). X-ray crystal structure analysis revealed a Y2H2 core connected to two [Y(η5:η1-C5Me4CH2SiMe2NCMe3)(THF)] fragments in a skewed manner, with a relatively long yttrium−yttrium distance of 3.7085(8) A. In solution, two diastereomers were observed by 1H NMR spectroscopy at −78 °C. Dimer 2 was s…