scholarly journals Double and Triple Ionisation of Isocyanic Acid

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
J. H. D. Eland ◽  
R. J. Squibb ◽  
A. J. Sterling ◽  
M. Wallner ◽  
A. Hult Roos ◽  
...  
Keyword(s):  
Synchrotron Radiation ◽  
Ground State ◽  
Photoelectron Spectrum ◽  
Theoretical Calculations ◽  
Isocyanic Acid ◽  
The Core ◽  
Coulomb Model ◽  
High Level ◽  
Double Ionisation ◽  
Reactive Molecule

AbstractDouble and triple ionisation spectra of the reactive molecule isocyanic acid (HNCO) have been measured using multi-electron and ion coincidence techniques combined with synchrotron radiation and compared with high-level theoretical calculations. Vertical double ionisation at an energy of 32.8 ± 0.3 eV forms the 3A” ground state in which the HNCO2+ ion is long lived. The vertical triple ionisation energy is determined as 65 ± 1 eV. The core-valence double ionisation spectra resemble the valence photoelectron spectrum in form, and their main features can be understood on the basis of a simple and rather widely applicable Coulomb model based on the characteristics of the molecular orbitals from which electrons are removed. Characteristics of the most important dissociation channels are examined and discussed.

CORE-HOLE EFFECT IN THE Ce L3 X-RAY ABSORPTION SPECTRA OF CeO2 AND CeFe2: NEW EXAMINATION BY USING RESONANT X-RAY EMISSION SPECTROSCOPY

2013 ◽  
Vol 27 (16) ◽  
pp. 1330012 ◽  
Author(s):  
A. KOTANI
Keyword(s):  
Absorption Spectra ◽  
Ground State ◽  
Theoretical Calculations ◽  
Emission Spectra ◽  
Core Hole ◽  
Final State ◽  
X Ray ◽  
The Core ◽  
X Ray Absorption ◽  
Hole Effect

We consider two different resonant X-ray emission spectra for Ce compounds: Ce 3d to 2p X-ray emission (denoted by 3d-RXES) and valence to 2p X-ray emission (v-RXES), both of which follow the Ce 2p to 5d resonant excitation. We propose that the comparison of the 3d- and v-RXES spectra is a new powerful method of directly detecting the core-hole effect in the final state of Ce L 3 X-ray absorption spectra (XAS). We applied this method to recent experimental RXES spectra for CeO 2 and CeFe 2, and showed unambiguously that the core-hole effect should be essential in the XAS of both materials. This result is confirmed by theoretical calculations, which reproduce well the experimental RXES and XAS spectra. We conclude that the ground state of CeO 2 is in the mixed state of 4f0 and [Formula: see text] configurations, where [Formula: see text] is a ligand hole, instead of a pure 4f0 configuration which was proposed recently by first-principles energy band calculations. Also, we conclude that the double peaks observed in L 3 XAS of CeFe 2 are caused by the 4f0 and 4f1 configurations, which are mixed in the ground state but separated in energy by the large core-hole potential in the final state of XAS.

K-shell photoionization of Li, Be+ and B2+

2016 ◽  
Vol 30 (15) ◽  
pp. 1650204 ◽  
Author(s):  
Jun Li ◽  
Jian Dang Liu ◽  
Song Bin Zhang ◽  
Bang Jiao Ye
Keyword(s):  
High Resolution ◽  
Light Source ◽  
Cross Sections ◽  
Ground State ◽  
Matrix Method ◽  
Theoretical Calculations ◽  
Metastable States ◽  
The Core ◽  
Advanced Light Source ◽  
State Formula

K-shell photoionization (PI) of Li, Be[Formula: see text] and B[Formula: see text] from ground state [Formula: see text] have been studied by using the [Formula: see text]-matrix method with pseudostates. The K-shell PI process is featured with the contributions from the core-excited metastable states or dominated by the Auger states 2Po. The resonant parameters of the Auger states 2Po and the PI cross-sections have been calculated and compared with the available experimental and theoretical works. Our results agree very well with that of the published works. It is worth noting that compared with previous theoretical calculations, our results of B[Formula: see text] show better agreements with the latest high-resolution advanced light source measurements [A. Müller et al., J. Phys. B 43 (2010) 135602].

The ortho-benzyne cation is not planar

2018 ◽  
Vol 20 (6) ◽  
pp. 3988-3996 ◽  
Author(s):  
D. Kaiser ◽  
E. Reusch ◽  
P. Hemberger ◽  
A. Bodi ◽  
E. Welz ◽  
...  
Keyword(s):  
Synchrotron Radiation ◽  
Ground State ◽  
Photoelectron Spectroscopy ◽  
Quantum Chemical ◽  
High Level ◽  
Quantum Chemical Computations

Mass-selected threshold photoelectron spectroscopy with synchrotron radiation and high-level quantum chemical computations revealed that the ground state of the ortho-benzyne cation exhibits a twisted geometry and that the ionisation energies have to be revised.

Consent

2018 ◽  
Author(s):  
Martin Krzywdzinski
Keyword(s):  
Production Systems ◽  
Employee Behavior ◽  
Labor Disputes ◽  
Performance Expectations ◽  
The Third ◽  
The Core ◽  
Core Requirements ◽  
High Level

This chapter deals with the dependent variable of the study: consent. It analyses workplace consent in Russia and China using three indicators that refer to the core requirements of the production systems in automotive companies regarding employee behavior: first, standardized work; and second, compliance with expectations in terms of flexibility, cooperation, and a commitment to improving processes. The third indicator of consent (or the lack of it) is the absence or presence of open criticism, resistance, and labor disputes. The chapter reveals significant and unexpected differences between the Chinese and Russian sites on all three indicators. While the Chinese factories exhibit (with some variance between the companies), a relatively high level of consent, the Russian plants have problems with standardized work, the acceptance of performance expectations, and to some extent with labor disputes.

TRU Recycling Options for Environmentally Friendly and Proliferation-Resistant Nuclear Fuel Cycle of FBR

2010 ◽  
Author(s):  
Sidik Permana ◽  
Mitsutoshi Suzuki
Keyword(s):  
High Performance ◽  
Fuel Cycle ◽  
Operation Time ◽  
Nuclear Nonproliferation ◽  
High Level Waste ◽  
Minor Actinide ◽  
Spent Fuel ◽  
Closed Fuel Cycle ◽  
The Core ◽  
High Level

The embodied challenges for introducing closed fuel cycle are utilizing advanced fuel reprocessing and fabrication facilities as well as nuclear nonproliferation aspect. Optimization target of advanced reactor design should be maintained properly to obtain high performance of safety, fuel breeding and reducing some long-lived and high level radioactivity of spent fuel by closed fuel cycle options. In this paper, the contribution of loading trans-uranium to the core performance, fuel production, and reduction of minor actinide in high level waste (HLW) have been investigated during reactor operation of large fast breeder reactor (FBR). Excess reactivity can be reduced by loading some minor actinide in the core which affect to the increase of fuel breeding capability, however, some small reduction values of breeding capability are obtained when minor actinides are loaded in the blanket regions. As a total composition, MA compositions are reduced by increasing operation time. Relatively smaller reduction value was obtained at end of operation by blanket regions (9%) than core regions (15%). In addition, adopting closed cycle of MA obtains better intrinsic aspect of nuclear nonproliferation based on the increase of even mass plutonium in the isotopic plutonium composition.

scholarly journals Phase Formation during Solidification of Mg-Nd-Zn Alloys: An In Situ Synchrotron Radiation Diffraction Study

Materials ◽  
2018 ◽  
Vol 11 (9) ◽  
pp. 1637 ◽  
Author(s):  
Domonkos Tolnai ◽  
Tungky Subroto ◽  
Serge Gavras ◽  
Ricardo Buzolin ◽  
Andreas Stark ◽  
...  
Keyword(s):  
Rare Earth ◽  
Synchrotron Radiation ◽  
Diffraction Study ◽  
Phase Formation ◽  
Theoretical Calculations ◽  
Alloy System ◽  
Zn Addition ◽  
Synchrotron Radiation Diffraction ◽  
Zn Alloys

Mg-4Nd base alloys with Zn additions of 3, 5 and 8 wt % were investigated with in situ synchrotron radiation diffraction during solidification. This method enabled the investigation of phase formation and transformation in the alloys. The diffraction results were supported with TEM observations on the as-solidified samples. The results show the effect of increased Zn addition on stabilizing the Mg3RE phase (RE—rare earth). The experimental results agree only partially with the theoretical calculations indicating the need to improve the existing thermodynamic database on the alloy system.

scholarly journals Population, and its social and religious composition in Ivanovo and Yaroslavl regions on the eve of the Axis aggression against the USSR (according to the censuses of the USSR in 1937 and 1939)

2021 ◽  
Vol 27 (1) ◽  
pp. 74-78
Author(s):  
Natalya S. Maiorova
Keyword(s):  
World War Ii ◽  
Rural Areas ◽  
Urban Population ◽  
Daily Life ◽  
World War ◽  
Religious Policy ◽  
The Core ◽  
Long Time ◽  
High Level ◽  
Anxiety And Fear

The article is devoted to the analysis of the results of population censuses conducted in the USSR in 1937 and 1939, in relation to Ivanovo and Yaroslavl regions. The research is based on census materials that had been classified for a long time and published only in the 1990s. Of all the various aspects of the censuses, the author's attention was focused on only three – population, its social structure, and religious composition. Based on the results of the censuses, conclusions are drawn about the prevalence of women in the region, both in rural areas and in cities. It was women who, in the conditions of World War II, became the strong rear, on whose shoulders the front was supported by food, uniforms, and weapons. The urban population was greater in Ivanovo Region, which was explained by its characteristic high rates of industrialisation. The 1937 census recorded a fairly high level of religiosity, despite the largely anti-religious policy that had been carried out for almost 20 years. The war led to an increase in religiosity, probably because often only faith could become the core around which daily life was built, full of deprivation, anxiety and fear for loved ones.

Si2p Core Level Absorption and Photoemission Spectra of Porous Si

1992 ◽  
Vol 283 ◽  
Author(s):  
Hisao Nakashima ◽  
Koichi Inoue ◽  
Kenzo Maehashi
Keyword(s):  
Synchrotron Radiation ◽  
Electronic Structures ◽  
Energy Shift ◽  
Blue Shift ◽  
Photo Luminescence ◽  
High Energy ◽  
Core Level ◽  
Oxidation States ◽  
Porous Si ◽  
The Core

ABSTRACTSi2p core level absorption and photoemission spectra are taken for different porous Si layers using synchrotron radiation, toknow the electronic structures of porous Si. The core level absorption spectra show the high energy shift of the conduction band which correlates with the photo-luminescence blue shift. The oxidation states of porous Si are clarified from the photoemission spectra.

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