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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Direct Experimental Observation of the Tetrabromine Cluster Br 4 by Synchrotron Photoionization Mass Spectrometry

We present a first spectroscopic characterization of the homoatomic polyhalogen tetrabromine, Br 4 , in the gas phase. Photolysis of CHBr 3 at 248 nm is used to generate atomic bromine radicals in a flow tube reactor. Resulting combination products are detected by photoionization mass spectrometry at the Advanced Light Source of the Lawrence Berkeley National Laboratory. Interpretation of the experimental mass spectra is informed by calculated adiabatic ionization energies carried out at the CCSD(T)/aug-cc-pVTZ//M06-2X/aug-cc-pVTZ and CCSD(T)/aug-cc-pVTZ//cam-B3LYP/6-311++g** levels of theory. Tunable VUV synchrotron radiation enables the collection of the mass-selected photoionization spectra by which Br 4 is assigned using Franck-Condon simulations of a Br 2 dimer with a stretched tetrahedral geometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Direct Analysis of Organic Compounds in Liquid Using a Miniature Photoionization Ion Trap Mass Spectrometer with Pulsed Carrier-Gas Capillary Inlet

A miniature ion trap mass spectrometer with capillary direct sampling and vacuum ultraviolet photoionization source was developed to conduct trace analysis of organic compounds in liquids. Self-aspiration sampling is available where the samples are drawn into the vacuum chamber through a capillary with an extremely low flow rate (less than 1 μL/min), which minimizes sample consumption in each analysis to tens of micrograms. A pulsed gas-assisted inlet was designed and optimized to promote sample transmission in the tube and facilitate the cooling of ions, thereby improving instrument sensitivity. A limit of detection of 2 ppb could be achieved for 2,4-dimethylaniline in a methanol solution. The sampling system described in the present study is specifically suitable for a miniature photoionization ion trap mass spectrometer that can perform rapid and online analysis for liquid samples. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Photoionization of P + : Experiment and theory

An experimental and theoretical study of the single photoionization cross section of the P + cation of phosphorus is presented. Photoionization (PI) cross sections are instrumental for the determination of abundances in the interstellar medium. The experiment was performed by merging an ion beam with a photon beam. The photon beam was nearly monochromatic and had an energy resolution of 24 meV. Calculations were carried out using the Breit–Pauli R-matrix method. The combined study was developed in the photon energy interval from 18 eV (68.9 nm) to 50 eV (24.8 nm). Comparison between the measured and the calculated cross section shows good agreement in general and identifies features of the process and existence of states in the experimental beam. Here the present results should provide for more accurate modeling of P + .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Photoionization of C 4 H 5 Isomers

In this work, single-photon, photoelectron–photoion coincidence spectroscopy is used to record the mass-selected ion spectra and slow photoelectron spectra of C 4 H 5 radicals produced by the abstraction of hydrogen atoms from three C 4 H 6 precursors by fluorine atoms generated by a microwave discharge. Three different C 4 H 5 isomers are identified, with the relative abundances depending on the nature of the precursor (1-butyne, 1,2-butadiene, and 1,3-butadiene). The results are compared with our previous work using 2-butyne as a precursor [ Hrodmarsson, H. R. J. Phys. Chem. A 2019 , 123 , 1521-1528]. The slow photoelectron spectra provide new information on the three radical isomers that is in good agreement with previous experimental and theoretical results [ Lang, M. J. Phys. Chem. A 2015 , 119 , 3995-4000; Hansen, N. J. Phys. Chem. A 2006 , 110 , 3670–3678]. The energy scans of the C 4 H 5 photoionization signal are recorded with substantially better resolution and signal-to-noise ratio than those in earlier work, allowing the observation of autoionizing resonances based on excited states of the C 4 H 5 cation. Photoelectron images recorded at several energies are also reported, providing insight into the decay processes of these excited states. Finally, in contrast to the earlier work using 2-butyne as a precursor, where H-atom abstraction was the only observed process, F- and H-atom additions to the present precursors are also observed through the detection of C 4 H 6 F, C 4 H 5 F, and C 4 H 7

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Double momentum spectrometer for ion-electron vector correlations in dissociative photoionization

We have developed a new momentum spectrometer dedicated to momentum vector correlations in the context of deep core photoionization of atomic and molecular species in the gas phase. In this article, we describe the design and operation of the experimental setup. The capabilities of the apparatus are illustrated with a set of measurements done on the sulphur core 1s photoionization of gas-phase CS{sub 2}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Frequency dependence of electron dynamics during femtosecond laser resonant photoionization of Li{sub 4} cluster

This study investigates the resonant effects on nonlinear photoionization of Li{sub 4} cluster under femtosecond laser irradiation. The real-time and real-space time-dependent density functional theory is applied to describe the optical linear response and nonlinear electron dynamics during the laser-material interactions. The calculations describe well the behaviors of the ionization process for both the off resonance and on resonance cases. For given laser intensities, the frequency dependence of electron ionization and energy absorption on multiphoton and/or tunnel ionization mechanisms is investigated. Theoretical results show that (1) the off resonance behaves as a classical oscillator whereas resonance leads to an internal excitation with subsequent emission of electrons after the laser termination; (2) when multiphoton ionization dominates, the frequency dependence of emitted electrons and absorbed energy coincides with trend of the spectral cross section for photon absorption; (3) while when tunnel ionization becomes significant, the aforementioned correlation gradually disappears, and the enhancement of resonant effect on photoionization is not manifest.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Dissociation of internal energy-selected methyl bromide ion revealed from threshold photoelectron-photoion coincidence velocity imaging

Dissociative photoionization of methyl bromide (CH{sub 3}Br) in an excitation energy range of 10.45–16.90 eV has been investigated by using threshold photoelectron-photoion coincidence (TPEPICO) velocity imaging. The coincident time-of-flight mass spectra indicate that the ground state X{sup 2}E of CH{sub 3}Br{sup +} is stable, and both A{sup 2}A{sub 1} and B{sup 2}E ionic excited states are fully dissociative to produce the unique fragment ion of CH{sub 3}{sup +}. From TPEPICO 3D time-sliced velocity images of CH{sub 3}{sup +} dissociated from specific state-selected CH{sub 3}Br{sup +} ion, kinetic energy release distribution (KERD) and angular distribution of CH{sub 3}{sup +} fragment ion are directly obtained. Both spin-orbit states of Br({sup 2}P) atom can be clearly observed in fast dissociation of CH{sub 3}Br{sup +}(A{sup 2}A{sub 1}) ion along C–Br rupture, while a KERD of Maxwell-Boltzmann profile is obtained in dissociation of CH{sub 3}Br{sup +}(B{sup 2}E) ion. With the aid of the re-calculated potential energy curves of CH{sub 3}Br{sup +} including spin-orbit coupling, dissociation mechanisms of CH{sub 3}Br{sup +} ion in A{sup 2}A{sub 1} and B{sup 2}E states along C–Br rupture are revealed. For CH{sub 3}Br{sup +}(A{sup 2}A{sub 1}) ion, the CH{sub 3}{sup +} + Br({sup 2}P{sub 1/2}) channel is occurred via an adiabatic dissociation by vibration, while the Br({sup 2}P{sub 3/2}) formation is through vibronic coupling to the high vibrational level of X{sup 2}E state followed by rapid dissociation. C–Br bond breaking of CH{sub 3}Br{sup +}(B{sup 2}E) ion can occur via slow internal conversion to the excited vibrational level of the lower electronic states and then dissociation.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Communication: The influence of vibrational parity in chiral photoionization dynamics

A pronounced vibrational state dependence of photoelectron angular distributions observed in chiral photoionization experiments is explored using a simple, yet realistic, theoretical model based upon the transiently chiral molecule H{sub 2}O{sub 2}. The adiabatic approximation is used to separate vibrational and electronic wavefunctions. The full ionization matrix elements are obtained as an average of the electronic dipole matrix elements over the vibrational coordinate, weighted by the product of neutral and ion state vibrational wavefunctions. It is found that the parity of the vibrational Hermite polynomials influences not just the amplitude, but also the phase of the transition matrix elements, and the latter is sufficient, even in the absence of resonant enhancements, to account for enhanced vibrational dependencies in the chiral photoionization dynamics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Isotope effects and spectroscopic assignments in the non-dissociative photoionization spectrum of N{sub 2}

Photoionization efficiency spectra of {sup 14}N{sub 2}, {sup 15}N{sup 14}N, and {sup 15}N{sub 2} from 15.5 to 18.9 eV were measured using synchrotron radiation at the Advanced Light Source at Lawrence Berkeley National Laboratory with a resolution of 6 meV, and significant changes in peak energies and intensities upon isotopic substitution were observed. Previously, we reported the isotope shifts and their applications to Titan's atmosphere. Here, we report more extensive experimental details and tabulate the isotope shifts of many transitions in the N{sub 2} spectrum, including those for {sup 15}N{sup 14}N, which have not been previously reported. The isotope shifts are used to address several long-standing ambiguities in spectral peak assignments just above the ionization threshold of N{sub 2}. The feature at 15.677 eV (the so-called second “cathedral” peak) is of particular interest in this respect. The measured isotope shifts for this peak relative to {sup 14}N{sub 2} are 0.015 ± 0.001 eV for {sup 15}N{sub 2} and 0.008 ± 0.001 eV for {sup 15}N{sup 14}N, which match most closely with the isotope shifts predicted for transitions to the (A {sup 2}Π{sub u} v{sup ′} = 2)4sσ{sub g} {sup 1}Π{sub u} state using Herzberg equations for the isotopic differences in harmonic oscillator energy levels plus the first anharmonic correction of 0.0143 eV for {sup 15}N{sub 2} and 0.0071 eV for {sup 15}N{sup 14}N. More generally, the isotope shifts measured for both {sup 15}N{sub 2} and {sup 15}N{sup 14}N relative to {sup 14}N{sub 2} provide new benchmarks for theoretical calculations of interferences between direct and indirect autoionization states which can interact to produce intricate resonant structures in molecular photoionization spectra in regions near ionization thresholds.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Spectral investigations of photoionized plasmas induced in atomic and molecular gases using nanosecond extreme ultraviolet (EUV) pulses

In this paper, results of spectral investigations of low temperature photoionized plasmas, created by irradiation of gases with intense pulses of extreme ultraviolet (EUV) radiation from a laser-produced plasma (LPP) source, are presented. The LPP source was based on a double-stream KrXe/He gas-puff target irradiated with 4 ns/0.8 J/10 Hz Nd:YAG laser pulses. The most intense emission from the source spanned a relatively narrow spectral region λ ≈ 10–12 nm; however, spectrally integrated intensity at longer wavelengths was also significant. The EUV beam was focused on a gas stream, injected into a vacuum chamber synchronously with the EUV pulses. Irradiation of gases resulted in formation of photoionized plasmas emitting radiation in the EUV range. Radiation spectra, measured for plasmas produced in various gases, are dominated by emission lines, originating from single charged ions. Significant differences in spectral intensities and distributions between plasmas created in neon and molecular gases were observed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Vibrationally specific photoionization cross sections of acrolein leading to the Χ{sup ~}A{sup '} ionic state

The vibrational branching ratios in the photoionization of acrolein for ionization leading to the Χ{sup ~}A{sup '} ion state were studied. Computed logarithmic derivatives of the cross section and the corresponding experimental data derived from measured vibrational branching ratios for several normal modes (ν{sub 9}, ν{sub 10}, ν{sub 11}, and ν{sub 12}) were found to be in relatively good agreement, particularly for the lower half of the 11–100 eV photon energy range considered. Two shape resonances have been found near photon energies of 15.5 and 23 eV in the photoionization cross section and have been demonstrated to originate from the partial cross section of the A{sup ′} scattering symmetry. The wave functions computed at the resonance complex energies are delocalized over the whole molecule. By looking at the dependence of the cross section on the different normal mode displacements together with the wave function at the resonant energy, a qualitative explanation is given for the change of the cross sections with respect to changing geometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Photoionization cross section measurements of the excited states of cobalt in the near-threshold region

We present measurements of photoionization cross-sections of the excited states of cobalt using a two-color, two-step resonance ionization technique in conjunction with a molecular beam time of flight (TOF) mass spectrometer. The atoms were produced by the laser vaporization of a cobalt rod, coupled with a supersonic gas jet. The absolute photoionization cross-sections at threshold and near-threshold regions (0-1.2 eV) were measured, and the measured values ranged from 4.2±0.7 Mb to 10.5±1.8 Mb. The lifetimes of four odd parity energy levels are reported for the first time.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Communication: Ultrafast time-resolved ion photofragmentation spectroscopy of photoionization-induced proton transfer in phenol-ammonia complex

Photoionization-induced proton transfer (PT) in phenol-ammonia (PhOH-NH{sub 3}) complex has been studied using ultrafast time-resolved ion photofragmentation spectroscopy. Neutral PhOH-NH{sub 3} complexes prepared in a free jet are photoionized by femtosecond [1+1] resonance-enhanced multiphoton ionization via the S{sub 1} state, and the subsequent dynamics occurring in the cations is probed by delayed pulses that result in ion fragmentation. The observed temporal evolutions of the photofragmentation spectra are consistent with an intracomplex PT reaction. The experiments revealed that PT in [PhOH-NH{sub 3}]{sup +} cation proceeds in two distinct steps: an initial impulsive wave-packet motion in ∼70 fs followed by a slower relaxation of about 1 ps that stabilizes the system into the final PT configuration. These results indicate that for a barrierless PT system, even though the initial PT motions are impulsive and ultrafast, the reaction may take a much longer time scale to complete.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Hartree-Fock calculation of the differential photoionization cross sections of small Li clusters

Cross sections and angular distribution parameters for the single-photon ionization of all electron orbitals of Li{sub 2−8} are systematically computed in a broad interval of the photoelectron kinetic energies for the energetically most stable geometry of each cluster. Calculations of the partial photoelectron continuum waves in clusters are carried out by the single center method within the Hartree-Fock approximation. We study photoionization cross sections per one electron and analyze in some details general trends in the photoionization of inner and outer shells with respect to the size and geometry of a cluster. The present differential cross sections computed for Li{sub 2} are in a good agreement with the available theoretical data, whereas those computed for Li{sub 3−8} clusters can be considered as theoretical predictions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Photoionized plasmas induced in neon with extreme ultraviolet and soft X-ray pulses produced using low and high energy laser systems

A comparative study of photoionized plasmas created by two soft X-ray and extreme ultraviolet (SXR/EUV) laser plasma sources with different parameters is presented. The two sources are based on double-stream Xe/He gas-puff targets irradiated with high (500 J/0.3 ns) and low energy (10 J/1 ns) laser pulses. In both cases, the SXR/EUV beam irradiated the gas stream, injected into a vacuum chamber synchronously with the radiation pulse. Irradiation of gases resulted in formation of photoionized plasmas emitting radiation in the SXR/EUV range. The measured Ne plasma radiation spectra are dominated by emission lines corresponding to radiative transitions in singly charged ions. A significant difference concerns origin of the lines: K-shell or L-shell emissions occur in case of the high and low energy irradiating system, respectively. In high energy system, the electron density measurements were also performed by laser interferometry, employing a femtosecond laser system. A maximum electron density for Ne plasma reached the value of 2·10{sup 18 }cm{sup −3}. For the low energy system, a detection limit was too high for the interferometric measurements, thus only an upper estimation for electron density could be made.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Self-sustained criterion with photoionization for positive dc corona plasmas between coaxial cylinders

The positive dc corona plasmas between coaxial cylinders in air under the application of a self-sustained criterion with photoionization are investigated in this paper. A photon absorption function suitable for cylindrical electrode, which can characterize the total photons within the ionization region, is proposed on the basis of the classic corona onset criteria. Based on the general fluid model with the self-sustained criterion, the role of photoionization in the ionization region is clarified. It is found that the surface electric field keeps constant under a relatively low corona current, while it is slightly weakened with the increase of the corona current. Similar tendencies can be found under different conductor radii and relative air densities. The small change of the surface electric field will become more significant for the electron density distribution as well as the ionization activity under a high corona current, compared with the results under the assumption of a constant surface field. The assumption that the surface electric field remains constant should be corrected with the increase of the corona current when the energetic electrons with a distance from the conductor surface are concerned.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Kr photoionized plasma induced by intense extreme ultraviolet pulses

Irradiation of any gas with an intense EUV (extreme ultraviolet) radiation beam can result in creation of photoionized plasmas. The parameters of such plasmas can be significantly different when compared with those of the laser produced plasmas (LPP) or discharge plasmas. In this work, the photoionized plasmas were created in a krypton gas irradiated using an LPP EUV source operating at a 10 Hz repetition rate. The Kr gas was injected into the vacuum chamber synchronously with the EUV radiation pulses. The EUV beam was focused onto a Kr gas stream using an axisymmetrical ellipsoidal collector. The resulting low temperature Kr plasmas emitted electromagnetic radiation in the wide spectral range. The emission spectra were measured either in the EUV or an optical range. The EUV spectrum was dominated by emission lines originating from Kr III and Kr IV ions, and the UV/VIS spectra were composed from Kr II and Kr I lines. The spectral lines recorded in EUV, UV, and VIS ranges were used for the construction of Boltzmann plots to be used for the estimation of the electron temperature. It was shown that for the lowest Kr III and Kr IV levels, the local thermodynamic equilibrium (LTE) conditions were not fulfilled. The electron temperature was thus estimated based on Kr II and Kr I species where the partial LTE conditions could be expected.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

A Coincidence Velocity Map Imaging Spectrometer for Ions and High-Energy Electrons to Study Inner-Shell Photoionization of Gas-Phase Molecules

We report on the design and performance of a double-sided coincidence velocity map imaging spectrometer optimized for electron-ion and ion-ion coincidence experiments studying inner-shell photoionization of gas-phase molecules with soft X-ray synchrotron radiation. The apparatus employs two microchannel plate detectors equipped with delay-line anodes for coincident, time- and position-resolved detection of photoelectrons and Auger electrons with kinetic energies up to 300 eV on one side of the spectrometer and photoions up to 25 eV per unit charge on the opposite side. We demonstrate its capabilities by measuring valence photoelectrons and ion spectra of neon and nitrogen and by studying channel-resolved photoelectron and Auger spectra along with fragment-ion momentum correlations for chlorine 2 p inner-shell ionization of cis - and trans -1,2-dichloroethene.

74 ATOMIC AND MOLECULAR PHYSICS↗