Search results for "ionization"
showing 10 items of 1255 documents
Application of the open-shell size-consistent self-consistent singles and doubles configuration interaction method to multielectronic transitions in …
2000
The size-consistent self-consistent matrix dressing method has been applied on an open-shell single-configuration reference state. Once the reference state is converged, several low-lying roots can be obtained for the dressed configuration interaction (CI) matrices of appropriate symmetry. The CI matrices were built with a complete-active-space singles and doubles CI method in order to deal properly with multiconfiguration excited states. The vertical ionization and ionization–excitation transitions are obtained from the difference to the closed shell ground-state energy of the neutral molecule. The method has been applied to NH+3 and N+2 using atomic natural orbital basis sets and state-av…
Electron impact mass spectra of chlorinated methyl propanoates
1982
The mass spectral fragmentations of all eleven chlorinated methyl propanoates have been studied. Deuterium labelling and metastable ion analysis were used to elucidate the fragmentation mechanism. The molecular ion peaks of all compounds are small, except methyl 3,3-dichloropanoate (38%). In most cases α-cleavage gives the base peak [COOCH3]+, and the loss of a chlorine atom from the molecular ion is characteristic of the 3-chloro, 3,3-dichloro and 3,3,3-trichloro compounds. Metastable ions showed the losses of small neutral molecules such as CH3OH, CH2CO, CO2 and CO from the [MCl]+ ion. α-Cleavage and the loss of Cl˙ gives an intense [MCOOCH3Cl]+˙ peak, which is the base peak in the spectr…
Studies in organic mass spectrometry. Part 9—mass spectra of 9,10-disubstituted 2,3,6,7-tetraalkoxy-9,10-dihydroanthracenes: A remarkable loss of rad…
1991
The electron impact-induced fragmentations of 23 9,10-disubstituted 2,3,6,7-tetraalkoxy-9,10-dihydroanthracenes, including six stereoisomeric pairs, were studied. The loss of the 9-(or 10-)substituent constitutes the main fragmentation route. The resulting ions give rise to a remarkable violation of the so-called even-electron rule as they eject the second substituent at the 10-(or 9-)position as a radical. The latter aspect was particularly investigated with the aid of low-energy (nominal value 15 eV) and mass-analysed ion kinetic energy spectra
Triple-resonance autoionization of uranium optimized for diode laser excitation
2007
Abstract The photoionization of uranium via three-step excitation has been optimized for isotope selective trace analysis. A search found 13 new J = 6, 7, and 8 odd-parity states in the 36,850–37,200 cm− 1 region that allow blue–red–red three-photon excitation at wavelengths favorable for commercial diode laser systems. From each of these 13 states, near-threshold autoionization spectra were recorded at a resolution of 3 × 10− 4 cm− 1. Some 30 even-parity autoionizing levels with J = 5 to 9 have also been observed and characterized. Comparison of the spectra allows J assignment for the new intermediate levels as well as selection of an optimized path for trace analysis. We show that, for a …
Properties and performance of a quadrupole mass filter used for resonance ionization mass spectrometry
1998
Abstract The performance of commercial quadrupole mass spectrometers (QMS) with a number of imperfections, as compared to the ideal hyperbolic geometry, has been characterized using the computer simulation program simion 3d version 6.0. The analysis of simulated QMS geometries focuses primarily on modeling of the internal potential, the study of field deviations, and the influence of finite length on performance of the QMS. The computer simulation of ion trajectories in the QMS field yields predictions for optimum working conditions and provides estimates for the resolving power and the maximum isotopic abundance sensitivity. Experimental measurements that confirm these expectations are pre…
Syntheses, Structures and Reactivity of New Intramolecularly Coordinated Tin Alkoxides Based on an Enantiopure Ephedrine Derivative
2011
The syntheses of the tin compounds [LSn]2 (2), spiro-L2Sn (3), [LSnW(CO)5]2 (4), [LSnBr2]2 (5), spiro-L2Sn·SnBr4 (6) and LSn[OC(O)Ph]2 (8), where L = MeN(CH2CMe2O)[(S)-CH(Me)-(R)-CH(Ph)O], and (Ph4P)2SnBr6 (7) are reported. The compounds were characterized by elemental analysis, multinuclear NMR spectroscopy including 119Sn cross polarisation–magic angle spinning NMR (CP–MAS) (2, 3–6), electrospray ionization mass spectrometry (2–4) and single crystal X-ray diffraction analysis (2, 2·C7H8, 3a, 3b, 4·C7H8, 5, 6·C7H8, 7).
Resonant Ionization Laser Ion Source for Radioactive Ion Beams
2009
A resonant ionization laser ion source based on all‐solid‐state, tunable Ti:Sapphire lasers is being developed for the production of pure radioactive ion beams. It consists of a hot‐cavity ion source and three pulsed Ti:Sapphire lasers operating at a 10 kHz pulse repetition rate. Spectroscopic studies are being conducted to develop ionization schemes that lead to ionizing an excited atom through an auto‐ionization or a Rydberg state for numerous elements of interest. Three‐photon resonant ionization of 12 elements has been recently demonstrated. The overall efficiency of the laser ion source measured for some of these elements ranges from 1 to 40%. The results indicate that Ti:Sapphire lase…
Fe 2p photoemission magnetic dichroism with linearly polarized synchrotron radiation and with unpolarized A1 Kα radiation
1997
We report on the measurements and analysis of Fe 2p magnetic dichroism in the angular distribution of the photoelectrons from remanently magnetized Fe(100)surfaces with unpolarized, monochromatized A1 Kα X-rays of 1486 eV energy (MDAD)and with linearly polarized synchrotron radiation of energy 800 eV (LMDAD). The two experiments verify the atomic photoionization model of (L)MDAD including the dichroism effect between field-averaged experiments of different chirality.
Ionization Energies of ClO and Cl2O2
1996
The ionization energies of chlorine oxide (ClO) and its dimer (Cl2O2) have been measured using monochromatic synchrotron radiation in the 10−20 eV energy regime in combination with photoionization mass spectrometry. The threshold energy of ClO+ (m/z = 51) is found at 10.85 ± 0.05 eV, whereas the ionization threshold of Cl2O2+ (m/z = 102) occurs at 11.05 ± 0.05 eV. The experimental values are compared to results from ab initio calculations, where three stable isomers of Cl2O2 are considered: dichlorine peroxide (ClOOCl), chloryl chloride (ClClO2), and chlorine chlorite (ClOClO). The results indicate that the experimental threshold energy of Cl2O2+ is due to adiabatic ionization of ClOOCl. T…
Quantification of poisons for Ziegler Natta catalysts and effects on the production of polypropylene by gas chromatographic with simultaneous detecti…
2020
[EN] This article describes a new simultaneous method for the analysis of sulfur-type poisons, hydrocarbons and permanent gases affecting the productivity of the Ziegler Natta catalyst during the synthesis of polypropylene on an industrial scale in a fluidized-bed reactor. The identification was achieved employing a configuration of the seven-valve chromatographic system, with events at different times, allowing distribution of the sample through multiple columns, and finally reaching the helium ionization detectors of pulsed discharge, flame ionization and mass spectrometry. The results obtained show a good precision of the method used because the variability was less than 1.02% in area an…