Resonance Ion Research Articles

Unveiling the Mechanism of Plasmon Photocatalysis via Multiquantum Vibrational Excitation.

Plasmon photocatalysis reactions are thought to occur through vibrationally activated reactants, driven by nonthermal energy transfer from plasmon-induced hot carriers. However, a detailed quantum-state-level understanding and quantification of the activation have been lacking. Using anti-Stokes surface-enhanced Raman scattering (SERS) spectroscopy, we mapped the vibrational population distributions of reactants on plasmon-excited nanostructures. Our results reveal a highly nonthermal distribution with an anomalously enhanced population of multiquantum excited states (v ≥ 2). The shape of the distribution and its dependence on local field intensity and excitation wavelength cannot be explained by photothermal heating or vibronic optical transitions of the metal-molecule complex. Instead, it can be modeled by hot electron-molecule energy transfer mediated by the transient negative ions, establishing direct links among nonthermal reactant activation, plasmon-induced hot electrons, and negative ion resonances. Moreover, the presence of multiquantum excited reactants, which are far more reactive than those in the ground state or first excited state, presents opportunities for vibrationally controlling chemical selectivities.

Modelling of ICRH slow wave propagation and absorption in Wendelstein 7-X stellarator

Abstract The propagation and absorption of the slow waves in the three-ion plasma of the Wendelstein 7-X stellarator have been investigated by ray tracing. The aim of the study is to obtain a qualitative notion of the penetration into the plasma and absorption of the wave excited by the potential difference between the antenna conductors and the antenna box. It has been discovered that the rays propagate along the magnetic field lines over a significant distance, up to 6 m, from the antenna. They weakly, to a depth of 0.1 m, penetrate into the plasma. Absorption of the slow waves by electrons does not lead to the generation of the currents capable of affecting the plasma equilibrium. Most of the slow waves are absorbed beyond the region of ion-ion hybrid resonance in the zone of cyclotron resonance of He3 ions at the periphery of the plasma. The ICRH of the three-ion W 7-X plasma will be used to heat He3 ions to high energies and simulate the confinement of alpha particles in an optimized stellarator configuration. The presence of a source of hot He3 ions, which are poorly confined, at the periphery of the plasma can affect the experimental results.

Demonstration of high-efficiency microwave heating producing record highly charged xenon ion beams with superconducting electron cyclotron resonance ion sources

Intense highly charged ion beam production is essential for high-power heavy ion accelerators. A novel movable Vlasov launcher for superconducting high charge state electron cyclotron resonance ion source has been devised that can affect the microwave power effectiveness by a factor of about 4 in terms of highly charged ion beam production. This approach based on a dedicated microwave launching system instead of the traditional coupling scheme has led to new insight on microwave-plasma interaction. With this new understanding, the world record highly charged xenon ion beam currents have been enhanced by up to a factor of 2, which could directly and significantly enhance the performance of heavy ion accelerators and provide many new research opportunities in nuclear physics, atomic physics, and other disciplines. Published by the American Physical Society 2024

Erratum to: Optimization of Parameters of Hexapole Magnets for Electron Cyclotron Resonance Ion Sources

Erratum to: Optimization of Parameters of Hexapole Magnets for Electron Cyclotron Resonance Ion Sources

Detailed structure of Sn131 populated in the β decay of isomerically purified In131 states

The excited structure of the single-hole nucleus Sn131 populated by the β− decay of In131 was investigated in detail at the ISOLDE facility at CERN. This new experiment took advantage of isomeric purification capabilities provided by resonant ionization, making it possible to independently study the decay of each isomer for the first time. The position of the first-excited νh11/2 neutron-hole state was confirmed via an independent mass spectroscopy experiment performed at the Ion Guide Isotope Separator On-Line facility at the University of Jyväskylä. The level scheme of Sn131 was notably expanded with the addition of 31 new γ-ray transitions and 22 new excited levels. The γ-emitting excited levels above the neutron separation energy in Sn131 were investigated, revealing a large number of states, which in some cases decay by transitions to other neutron-unbound states. Our analysis showed the dependence between the population of these states in Sn131 and the β-decaying In131 state feeding them. Profiting from the isomer selectivity, it was possible to estimate the direct β feeding to the 3/2+ ground and 11/2− isomeric states, disentangling the contributions from the three indium parent states. This made possible to resolve the discrepancies in logft for first-forbidden transitions observed in previous studies, and to determine the β-delayed neutron decay probability (Pn) values of each indium isomers independently. The first measurement of subnanosecond lifetimes in Sn131 was performed in this work. A short T1/2=18(4)−ps value was measured for the 1/2+ neutron single-hole 332-keV state, which indicates an enhanced l-forbidden M1 behavior for the ν3s1/2−1→ν3d3/2−1 transition. The measured half-lives of high-energy states populated in the β decay of the (21/2+) second isomeric state (In131m2) provided valuable information on transition rates, supporting the interpretation of these levels as core-excited states analogous to those observed in the doubly-magic Sn132. Published by the American Physical Society 2024

Predissociation-based measurements of bond dissociation energies: US2, OUS, and USe.

The uranium-containing molecules US2, OUS, and USe have been investigated using a pulsed laser ablation supersonic beam molecular source with time-of-flight mass spectrometric detection. Spectra have been recorded using the resonant two-photon ionization method over the spectroscopic range from 277 to 238nm. These species have a myriad of excited electronic states in this spectroscopic region, leading to spectra that are highly congested and appear quasicontinuous. Sharp predissociation thresholds are observed, allowing precise bond dissociation energies to be measured. In the case of the triatomic molecules, it was necessary to use one laser for excitation and a delayed laser for ionization in order to observe a sharp predissociation threshold that allowed a precise bond dissociation energy to be measured. The resulting thermochemical values are D0(SU-S) = 4.910 ± 0.003eV, D0(OU-S) = 5.035 ± 0.004eV, and D0(USe) = 4.609 ± 0.009eV. These results provide the first measurement of D0(USe) and reduce the error limits in the previous values of D0(SU-S) and D0(OU-S) by a factor of more than 70.

Performance and Mechanism of the Modified Group Regulated the MIL-101(Fe) Type Fenton-like Catalysts.

In order to avoid the disadvantages of the Fenton process in wastewater treatment and reduce the cost of wastewater treatment, a series of MIL-101(Fe)-X (X = -OH, -NH2, -NO2, -H) solid Fenton catalysts were successfully prepared. The performance of these Fenton-like catalysts was studied with the Fenton experiment as a reference and methylene blue (MB) as an organic pollutant. The effects of the H2O2 concentration, catalyst dosage, and reaction pH on catalytic performance were systematically studied. The research had shown that the optimal concentration of H2O2 for catalytic reactions was 0.10 mmol/L and the pH was 3. At this point, their catalytic degradation MB performance was superior to the Fenton reaction and photocatalytic reaction. When the H2O2 participated in the reaction, the performance of MIL-101(Fe)-X (X = -OH, -NH2, -NO2, -H) in catalyzing the degradation of MB followed the rule of -OH > -NH2 > -NO2 > -H. This was due to the synergistic effect of Fenton-like catalysis and photocatalytic degradation in the catalytic degradation of MB. In addition, the electron paramagnetic resonance and electrospray ionization mass spectrometry showed that the hydroxyl radical (·OH) generated during the catalytic process first underwent a redox reaction with the highly electronegative functional groups in the MB molecule, and finally oxidized it to CO2 and H2O. This study successfully prepared commercially applicable Fenton-like catalysts and explored their optimal reaction conditions. This provides a technical reference for wastewater treatment.

Grafting of -Electroactive Probe onto the glassy carbon electrode for the Detection of Tetracycline in Milk sample

ABSTRACT This paper presents a new Schiff base molecule of (Z)-N’-(2-hydroxy-5-nitrobenzylidene) nicotinohydrazide (BNH) that has been synthesised and characterised using Fourier transform infrared spectroscopy, Proton and Carbon-13 Nuclear Magnetic Resonance and High-resolution Ionisation Mass Spectroscopy. The study herein describes the novel chemical modification of glassy carbon electrode (GCE) by drop casting method using the synthesised Schiff base molecule to detect tetracycline (TC) antibiotic. Improved sensitivity of the electrode to the analyte results from the electrode modification using functional group present in the Schiff bases. The electrochemical behaviour of a modified electrode on tetracycline using voltammetric techniques were studied and optimised. The modified electrode showed a good selectivity in the presence of some interferences. The calibration curve for TC was achieved in a linear range of 10–60 μmol L−1 under optimised conditions. The detection limit and quantification for TC was found to be 2.1 μmol L−1 and 9 μmol L−1. The obtained results suggested that tetracycline may be measured in milk samples using the BNH modified glassy carbon electrode.

The electron affinity of rubidium: a state selective measurement

Negative ions, which are formed when an electron is attached to a neutral system, are unique quantum systems. The lack of a long-range Coulomb force causes the inter-electronic interactions to become relatively more important. As a consequence, the independent particle model, which adequately describes atomic structure under normal conditions, breaks down. The alkali negative ions, with a closed valence s-shell, are among the simplest anionic systems. Hence, they can favorably be used to benchmark atomic theory. In this work, we have determined the electron affinity of 85Rb by measuring the relative partial photodetachment cross section of the negative ion, leaving the residual atom in the 5p 2P3/2 excited state. Resonance ionization spectroscopy allows for state selectivity and the ability to measure the Wigner s-wave threshold onset of the photodetachment process. The electron affinity of 85Rb was determined to be 485.887(6) meV.

In-gas-jet laser spectroscopy of No254 with JetRIS

Here we report online results with the in-gas-Jet Resonance Ionization Spectroscopy (JetRIS) apparatus. The S01↔P11 transition of No254 was successfully measured with sub-GHz resolution, marking a fivefold improvement over previous measurements. Recent developments in laser spectroscopy have allowed access to more exotic nuclei, but measurements of the heavy actinide region have been limited by line broadening mechanisms, limiting the precision with which nuclear properties can be deduced from the hyperfine spectrum. JetRIS provides a method to measure the heavy actinide region with a high level of sensitivity and higher resolution than previous experiments. The offline and online characterizations of the system are reported, and future perspectives are presented. Published by the American Physical Society 2024

Furcellaran: Impact of Concentration, Rheological Properties, and Structure on Ice Recrystallization Inhibition Activity.

Recrystallization is considered the main damaging mechanism during the frozen storage of biologic materials. In this study, furcellaran, a polysaccharide related to κ-carrageenan, was studied for its concentration-dependent effect on ice crystal growth and recrystallization. The structure and sulfate content of the utilized furcellaran was analyzed by 1H nuclear magnetic resonance spectroscopy, ion chromatography, and high-performance size-exclusion chromatography. Additionally, the rheological properties of furcellaran solutions were investigated. Our findings demonstrate that furcellaran inhibits ice growth as effectively as κ-carrageenan. Furthermore, the rheological properties change with increasing furcellaran concentration, resulting in a gel-like consistency at 5 g/L, which coincides with decreased recrystallization inhibition activity and larger crystals. This suggests that gel formation or a gel-like consistency has to be avoided for optimal recrystallization inhibition activity.

Quadruple bonds in MoC: Accurate calculations and precise measurement of the dissociation energy of low-lying states of MoC.

In the present work, the electronic structure and chemical bonding of the MoC X3Σ- ground state and the six lowest excited states, A3Δ, a1Γ, b5Σ-, c1Δ, d1Σ+, and e5Π, have been investigated in detail using multireference configuration interaction methods and basis sets, including relativistic effective core potentials. In addition, scalar relativistic effects have been considered in the second order Douglas-Kroll-Hess approximation, while spin-orbit coupling has also been calculated. Five of the investigated states, X3Σ-, A3Δ, a1Γ, c1Δ, and d1Σ+, present quadruple σ2σ2π2π2 bonds. Experimentally, the predissociation threshold of MoC was measured using resonant two-photon ionization spectroscopy, allowing for a precise measurement of the dissociation energy of the ground state. Theoretically, the complete basis set limit of the calculated dissociation energy with respect to the atomic ground state products, including corrections for scalar relativistic effects, De(D0), is computed as 5.13(5.06) eV, in excellent agreement with our measured value of D0(MoC) of 5.136(5) eV. Furthermore, the calculated dissociation energies of the states having quadruple bonds with respect to their adiabatic atomic products range from 6.22 to 7.23eV. The excited electronic states A3Δ2 and c1Δ2 are calculated to lie at 3899 and 8057 cm-1, also in excellent agreement with the experimental values of DaBell et al., 4002.5 and 7834 cm-1, respectively.

Determination of the activity and nuclear decay data of 157Tb

Terbium-157 was radiochemically extracted from an irradiated tantalum target. Since the resulting material contained a significant impurity of 158Tb, 157Tb was isotopically purified using laser resonance ionization at the RISIKO mass separator in Mainz and then implanted on an aluminum (Al) foil. The implanted 157Tb was measured by two different calibrated gamma-ray spectrometers to determine photon emission rates. After dissolving the Al foil, a high purity 157Tb solution was obtained. The corresponding activity concentration was determined with a low relative uncertainty of 0.52% through a combination of liquid scintillation counting using the TDCR method and 4π(X,e)(LS)-(X,γ)(CeBr3) coincidence counting. By combining the results from all measurement techniques, emission intensities for K X-rays and gamma-rays were derived and found to be 16.05(31)% and 0.0064(2)%, respectively. The probability for K electron capture of the first forbidden non-unique transition to the ground state was determined to be 17.16(35)%. The probabilities for the electron-capture branch to the excited level and the ground state were found to be 0.084(4)% and 99.916(4)%, respectively. A Q+ value of 60.23(18) keV was estimated based on simplified BetaShape calculations, assuming an allowed transition.

N···C═O n → π* Interaction: Gas-Phase Electronic and Vibrational Spectroscopy Combined with Quantum Chemistry Calculations.

Herein, we have used gas-phase electronic and vibrational spectroscopic techniques for the first time to study the N···C═O n → π* interaction in ethyl 2-(2-(dimethylamino) phenyl) acetate (NMe2-Ph-EA). We have measured the electronic spectra of NMe2-Ph-EA in the mass channels of its two distinct fragments of m/z = 15 and 192 using a resonant two-photon ionization technique as there was extensive photofragmentation of NMe2-Ph-EA. Identical electronic spectra obtained in the mass channels of both fragments confirm the dissociation of NMe2-Ph-EA in the ionic state, and hence, the electronic spectrum of the fragment represents that of NMe2-Ph-EA only. UV-UV hole-burning spectroscopy proved the presence of a single conformer of NMe2-Ph-EA in the experiment. Detailed quantum chemistry calculations reveal the existence of a N···C═O n → π* interaction in all six low-energy conformers of NMe2-Ph-EA. A comparison of the IR spectrum of NMe2-Ph-EA acquired from the gas-phase experiment with those obtained from theoretical calculations indicates that the experimentally observed conformer has a N···C═O n → π* interaction. The present finding might be further valuable in drug design and their recognition based on the N···C═O n → π* interaction.

Taming Negative Ion Resonances Using Nonlocal Exchange-Correlation Functionals.

The characterization of negative ion resonances poses a fundamental challenge to density functional methods due to the unbound nature of resonances. To overcome this challenge, we propose one-particle nonlocal exchange-correlation (xc) potentials combining the exact-exchange (EXX) and the random phase approximation (RPA) correlation potentials. The negative ion resonances are identified by perturbing the real Hermitian nonlocal xc potentials using complex absorbing local potentials. Our studies show that the nonlocal EXX+RPA potential significantly enhances the description of positions and widths of negative ion resonance states compared to potentials that exclude dynamic polarization in RPA or include only EXX. The use of low-scaling algorithms simplifies the computation of the RPA potential, thereby providing a practical solution for resonance-state characterization within the density functional framework. A theoretical framework and the underlying assumptions required for combining real Hermitian nonlocal xc potentials with complex local potentials are discussed.

Ion beam stability prediction of ECR ion source based on TCN-DTW network

The Electron Cyclotron Resonance (ECR) ion source is an irreplaceable apparatus for producing high-intensity, highly charged heavy ion beams, representing a critical component for heavy ion accelerators. The operation of the ECR ion source is inherently influenced by various factors, leading to fluctuations in beam intensity. Such instability not only diminishes the efficacy of accelerator operations but also introduces distortions in terminal experimental data. Addressing these challenges, this study proposes the application of a Temporal Convolutional Network (TCN) based on a Dynamic Time Warping (DTW) loss function (TCN-DTW) for predicting the stability of the ion beams. Prior to constructing the prediction network, raw data undergoes preprocessing through an Interquartile Range (IQR) anomaly detection mechanism and the Savitzky-Golay (SG) filtering algorithm with an adaptive window. Experimental results demonstrate a substantial enhancement in prediction performance when employing the TCN network with the DTW loss function compared to traditional alternatives. This approach facilitates effective forecasting of the ion source beam current trend, offering a basis for the control and correction of long-term stability. Consequently, it provides valuable insights for optimizing the ECR ion source and enhancing overall accelerator operational performance.

Simulating energetic ions and enhanced fusion rates from ion-cyclotron resonance heating with a full-wave/Fokker–Planck model

Reproducing fast-ion enhanced fusion rates from ion-cyclotron resonance heating (ICRH) in tokamaks requires the self-consistent coupling of a full-wave solver and a Fokker–Planck solver, which evolves multiple simultaneously resonant ion species. We introduce a new self-consistent model that iterates the TORIC full-wave solver with the CQL3D Fokker–Planck solver using the integrated plasma simulator (IPS). This model evolves the bounce-averaged ion distribution functions in both parallel and perpendicular velocity-space with a quasilinear radio frequency (RF) diffusion operator valid in the ion finite Larmor radius (FLR) limit and the RF electric fields with the resultant non-Maxwellian FLR dielectric tensor. This produces non-Maxwellian ICRH simulations that are fully self-consistent, fast, and interoperable with integrated modeling frameworks, such as TRANSP/GACODE/IPS-FASTRAN. We demonstrate our model's capabilities by validating it against experimental data in Alcator C-Mod. We then perform the first RF heating simulations of SPARC using self-consistent non-Maxwellian ion distributions to investigate the potential to enhance fusion rates using ion cyclotron resonance heating generated fast ions.

Optimization of Parameters of Hexapole Magnets for Electron Cyclotron Resonance Ion Sources

Optimization of Parameters of Hexapole Magnets for Electron Cyclotron Resonance Ion Sources

Resonance of Low-frequency Electromagnetic and Ion-sound Modes in the Solar Wind

Parker Solar Probe measurements have recently shown that coherent fast magnetosonic and Alfvén ion-cyclotron waves are abundant in the solar wind and can be accompanied by higher-frequency electrostatic fluctuations. In this Letter we reveal the nonlinear process capable of channelling the energy of low-frequency electromagnetic to higher-frequency electrostatic fluctuations observed on board Parker Solar Probe. We present Hall-MHD simulations demonstrating that low-frequency electromagnetic fluctuations can resonate with the ion-sound mode, which results in steepening of plasma density fluctuations, electrostatic spikes, and harmonics in the electric field spectrum. The resonance can occur around the wavenumber determined by the ratio between local sound and Alfvén speeds, but only in the case of oblique propagation to the background magnetic field. The resonance wavenumber, its width, and steepening timescale are estimated, and all indicate that the revealed two-wave resonance can frequently occur in the solar wind. This process can be a potential channel of energy transfer from cyclotron resonant ions producing the electromagnetic fluctuations to Landau resonant ions and electrons absorbing the energy of the higher-frequency electrostatic fluctuations.

Positive cooperativity in binding: Spectroscopic characterization and dissociation energy of the anisole…(CH4)2 complex

We have previously reported on the spectroscopy and binding energy of the anisole…methane complex, which exhibits a dual mode of binding that involves both CH/O and CH/π interactions. In this work, we seek to examine cooperativity in binding through a study of the isolated anisole-(methane)2 complex, using a combination of experiments that include mass-selected two-color resonant two-photon ionization spectroscopy (2CR2PI), two-color appearance potential (2CAP) measurements, and velocity mapped ion imaging (VMI) augmented with a complementary theoretical characterization. Using 2CAP and VMI, we derive the dissociation energies of the complex in ground (S0), excited (S1), and cation radical (D0) states. The experimental values from the two methods are in excellent agreement and are compared with selected theoretical values calculated using DFT and ab initio methods. The data show that the dissociation energy increases by some 10 % for the second methane relative to the first, with this trend being consistent across all three electronic states, indicating a cooperative binding effect where the initial solvation turns on binding of a second methane onto the opposite face. This lies in contrast to the aniline-(methane)2 complex, where recent studies have shown a negativity cooperativity, and these trends are examined.