High Ionization Potential Research Articles

Constructing electron-enriched Cu-Mn binuclear sites for enhanced catalytic ozonation toward wastewater purification

Rational construction of electron-enriched active sites in single-atom catalysts to accelerate interfacial electron transfer and boost catalytic ozonation activity is still a challenging task. Herein, electron-enriched Cu-Mn binuclear sites were successfully immobilized onto defect-rich N-doped carbon (Cu-Mn/NvC) in activating O3 for degradation of organic pollutants with high ionization potential from water. The Cu-Mn/NvC with Cu-Nv-Mn sites achieves almost 100 % removal of 4-chlorophenol in 60 min by catalytic ozonation with a degradation rate of 0.067 min−1, which is 3.94 times faster than Mn/NC, exceeding the reported values. The nonradicals of surface atomic oxygen species (*O/*OO) and singlet oxygen (1O2) are the dominant ROS responsible for contaminants degradation. The Cu-Nv-Mn sites can capture electrons from nitrogen vacancies, acting as electron enrichment centers that provide more electrons to O3. The Cu doping elevates Mn d-band center closer to the Fermi energy level and decreases the adsorption energy by 0.494 eV, significantly accelerating electron transfer from the Mn d-bands to the 2p orbital of O3, which enhances the activation of O3 to generate *O/*OO and 1O2 and thus improves the degradation of organic pollutants. Additionally, the excellent catalytic activity towards real wastewater and exceptional reusability after ten cycles demonstrate the superiority of the proposed system for practical application in wastewater treatment. This study provides an efficient pathway for activating O3 by accelerating interfacial electron transfer via the design of electron-rich metal dual-atom sites in carbon-based catalysts.

Time-dependent metal ionization and the persistence of collisionally excited emission lines in the diffuse ionized gas of star-forming galaxies

ABSTRACT We extend our time-dependent hydrogen ionization simulations of diffuse ionized gas to include metals important for collisional cooling and diagnostic emission lines. The combination of heating from supernovae and time-dependent collisional and photoionization from mid-plane OB stars produces emission line intensities (and emission line ratios) that follow the trends observed in the Milky Way and other edge-on galaxies. The long recombination times in low-density gas result in persistent large volumes of ions with high ionization potentials, such as O iii and Ne iii. In particular, the vertically extended layers of Ne iii in our time-dependent simulations result in [Ne iii] 15 $\mu$m/[Ne ii] 12 $\mu$m emission line ratios in agreement with observations of the edge-on galaxy NGC 891. Simulations adopting ionization equilibrium do not allow for the persistence of ions with high ionization states and therefore cannot reproduce the observed emission lines from low-density gas at high altitudes.

Highly dispersed single-atom Fe and Fe3O4 clusters anchored hierarchical-pore carbon as efficient persulfate activation catalyst

The selective removal of Fe particles from carbonized Fe-MOFs presents an intriguing strategy for developing efficient peroxydisulfate (PDS) activators. It is commonly accepted that their outstanding performance is largely attributed to the high specific surface area/pore volume. However, our investigation into the structure–function relationship of these materials has revealed new insights. In this study, a highly dispersed single-atom Fe and Fe3O4 clusters anchored hierarchical-pore carbon (CM88-H) was obtained via post-acid treatment of carbonized MIL-88B (CM88). Various characterizations were comparatively conducted to highlight the beneficial effects of iron dissolution. The CM88-H/PDS system achieved a notable BPA degradation efficiency, with a reaction rate of 0.323 min−1, which is 3.94 times higher than that of the CM88/PDS system. DFT calculations indicate that the Fe3O4 clusters optimize the charge distribution around single-atom Fe, promoting favorable PDS adsorption and facilitating a higher oxidation state of CM88-H. As a result, BPA can be completely degraded within 10 min with 0.1 g L-1 CM88-H and 0.05 g L-1 PDS via both radical and non-radical pathways. The CM88-H/PDS/BPA system performs effectively under various conditions, with a general reduction in toxicity. Furthermore, the CM88-H/PDS system shows broad oxidation activity towards BPA substitutes and pollutants with high ionization potential (IP). Notably, the CM88-H sponge-based fixed-bed catalytic reactor demonstrated satisfactory BPA degradation, highlighting the promising application of CM88-H in water purification. This study provides a sustainable solution for water treatment and accelerates the practical application of powdered nanocatalysts to improve water quality.

Technological Features of Filler Wire Melting for Arc Welding and Surfacing with the Introduction of SF6 into Protective Gas Atmosphere

On the basis of the results of experimental studies the paper establishes important patterns of dependence of the frequency of short circuits of the arc gap and the coefficient of loss of electrode metal due to spatter from the voltage on the arc and the feed rate of the filler wire during welding and surfacing with the introduction of gaseous SF6 into the Ar + CO2 protective mixture. It is proposed to introduce fluorine-containing components of SF6 directly into the protective gas mixture of 82 % Ar + 18 % CO2 in quantities not exceeding 2 %. The technology makes it possible to reduce the amount of diffusion hydrogen in the deposited metal, which is an urgent task when welding high-strength steels and materials sensitive to hydrogen embrittlement. Previously, we resolved a number of issues related to the obstacle to increasing the concentration of S in the deposited metal, which made it possible to determine the most effective concentrations of SF6 in the protective gas environment, limited to 1.5 % by volume of the total composition (Ar + CO2) + SF6. At the same time, modification of the protective gas atmosphere with the halide compound SF6 has a significant effect on the melting characteristics of the electrode wire and temperature indicators in the arc combustion zone. This is due to the high ionization potential of fluorine as a product of the high-temperature dissociation reaction of SF6. The results obtained have made it possible to determine the most effective relationships between the values of the mode parameters, as well as to study the specifics of melting the filler wire in a protective atmosphere modified with SF6. Important regularities have been established that reveal the technological features of welding and surfacing with modification of the protective atmosphere with halide compounds.

Selective adsorption of high ionization potential value organic pollutants in wastewater

It is imperative to devise effective removal strategies for high ionization potential (IP) organic pollutants in wastewater as their reduced electron-donating capacity challenges the efficiency of advanced oxidation systems in degradation. Against this backdrop, leveraging the metal-based carbon material structure meticulously, we employed metal-pyridine-N (M-N-C, M=Fe, Co, and Ni) as the electron transfer bridge. This distinctive design facilitated the ordered transfer of electrons from the adsorbent surface to the surface of high IP value pollutants, acting as a "supplement" to compensate for their deficient electron-donating capability, thereby culminating in the selective adsorption of these pollutants. Furthermore, this adsorbent also demonstrated effective removal of trace emerging contaminants (2 mg/L), displayed robust resistance to various salts, exhibited reusability, and maintained stability. These findings carry substantial implications for future carbon-based material design, offering a pathway toward exceptional adsorption performance in treating water pollution.

Transport parameters from AMS-02 F/Si data and fluorine source abundance

The AMS-02 collaboration recently released cosmic ray F/Si data with an unprecedented accuracy. Cosmic ray fluorine is predominantly produced by fragmentation of heavier progenitors, while silicon is mostly accelerated at source. This ratio is thus maximally sensitive to cosmic ray propagation. We study the compatibility of the transport parameters derived from the F/Si ratio with those obtained from the lighter Li/C, Be/C, and B/C ratios. We also inspect the cosmic ray source abundance of F, which is one of the few elements that has a high first ionisation potential but is only moderately volatile and is a potentially key element to study the acceleration mechanism of cosmic rays. We used the 1D diffusion model implemented in the code and performed $ analyses accounting for several systematic effects (energy correlations in data, nuclear cross sections, and solar modulation uncertainties). We also took advantage of the nuclear database to update the F production cross sections for its most important progenitors (identified to be 56Fe, 32S, 28Si, 27Al, 24Mg, 22Ne, and 20Ne). The transport parameters obtained from AMS-02 F/Si data are compatible with those obtained from AMS-02 (Li,Be,B)/C data. The combined fit of all of these ratios leads to a $ 1.1$, with $ 10<!PCT!>$ adjustments of the B and F production cross sections (which are based on very few nuclear data points and would strongly benefit from new measurements). The F/Si ratio is compatible with a pure secondary origin of F, with a best-fit relative source abundance F/^ Si) CRS $ and an upper limit of $ $. Unfortunately, this limit is not sufficient to test global acceleration models of cosmic ray nuclei, for which values at the level of $ $ are required. Such levels could be attained with F/Si data with a few percent of accuracy at a few tens of TV, which is possibly within reach for the next generation of cosmic ray experiments.

Computational Study of the Antioxidative Potential of Substituted Hydroxy-2-arylbenzothiazole Derivatives

This study use density functional theory B3LYP/6-31+G(d) methods to examine theoretically the electrical and structural characteristics of substituted hydroxy-2-arylbenzothiazole derivatives, which contribute to their ability to scavenge free radicals. It was found that the antioxidant activities increase with small the energy gap ΔE (EL-EH), lower ionization potential (IP), lower hardness (η), higher softness (S), higher dipole moment, higher negative total energy of optimization and high the net charge. These values are interpreted with experimental equivalent antioxidant values. Two series of compounds, series one, compounds 1-6 (hydroxyl groups attached to aryl ring) and series two viz. compounds 7-10 (substituent to ortho-position of phenyl ring) were studied. It was observed that in series one, compound 6 with three hydroxy substituent had the lowest energy gap ΔE, lowest IP, lowest hardness (η), highest softness (S), highest dipole moment, highest total negative energy of optimization and compound 1 with no substituent had highest energy gap ΔE, highest IP, highest hardness (η), lowest softness (S), lowest dipole moment, lowest negative total energy of optimization. The results of the antioxidant activity are in the following order: 6 > 5 > 4 > 2 > 3 > 1. The introduction of the strongly electron-withdrawing substituent, –NO2 and –CN groups attached to phenyl ring of hydroxy-2-arylbenzothiazole nucleus improve the effect of antioxidant activity. On the basis of these findings, a novel antioxidant compound that possesses enhanced activity can be developed.

Observation of the low electron density and electron temperature in an unmagnetized cascaded arc helium plasma by laser Thomson scattering approach

In this study, the electron density (ne ) and temperature (Te ) in an unmagnetized cascaded arc helium (He) plasma are precisely determined using cutting-edge laser Thomson scattering. In our experimental scope, ne is only 1018 m−3 and Te is less than 0.2 eV, both of which are substantially lower than in linear plasma devices (LPDs). The comparison of ne and Te values in He plasma with those in cascaded arc Ar plasma reveals that these two parameters are likewise significantly lower in He plasma than they are in Ar plasma on average. In comparison to Ar gas, the degree of ionization of He is low due to its high ionization potential, and diffusive loss dominates due to its light weight, both of which result in a lower ne . Meanwhile, these two characteristics render the three-body recombination interaction between electrons and He+ ions in He plasma insignificant, thus the electrons cannot be heated effectively, explaining why Te is lower. This study will provide foundational data and build the groundwork for a thorough knowledge of cascaded arc He plasma in LPDs and plasma windows.

How much length of boron-nitride incorporated benzene like structures can produce efficient harmonic generation at their low-lying excited states?

In this study, exploring the nonlinear optical (NLO) responses by utilizing boron nitride (BN) units as benzene like fused ring chromophores (BTN1-BTN8) are made by correlating their planarity. The chromophore structures containing ring sizes of 3 and 4 (BTN3 and BTN4) demonstrates their significant NLO responses, while higher ring sizes show a decline as their structure become more curved. Their quantum chemical calculations are performed to optimize their molecular structures for their various chemical stability related parameters. Their dipole moments (µtot) ranges between 1.27D for BTN2 to 4.43 D for BTN8 while their average linear polarizability (<α0>) varies from 5.98–7.56 electrostatic units (e.s.u). The chromophore BTN4 exhibits its highest first order hyperpolarizability (β0) value of 9.91 e.s.u. The chromophore BTN3 has the largest second order hyperpolarizability (γ0) value of 11.98 e.s.u and it also has the highest ionization potential (IP) of 5.64 eV, while chromophore BTN4 had a remarkably low EA of −4.91 eV. Their vertical IP (VIP) values ranged from 6.21 eV for BTN1 to 7.56 eV for chromophore BTN7. The chromophore BTN1 displayed a maximum absorption (λmax) at 656 nm with an oscillator strength (f) of 0.0473 and an excitation energy (E) of 1.89 eV. The chromophore BTN4 exhibits a λmax of 366 nm, an f of 0.0012, and an E value of 3.39 eV. The chromophore BTN8 showed the highest λmax value of 1023 nm, an f of 0.0023, and an E value of 1.21 eV.

Ca n neutral clusters: a two-step G 0 W 0 and DFT benchmark.

Electronic and structural properties of calcium clusters with a varying size range of 2-20 atoms are studied using a two-step scheme within the GW and density functional theory (DFT) with generalized gradient approximation (GGA). The GGA overestimates the binding energies, optimized geometries, electron affinities, and ionization potentials reported in the benchmark. The ground-state structure geometry and binding energy were obtained from the DFT for the ground-state structure of each cluster. The binding energy of the neutral clusters of the calcium series follows an increasing trend, except for a few stable even and odd clusters. The electronic properties of the calcium cluster were studied with an all-electron FHI-aims code. In the G 0 W 0 calculation, the magic cluster Ca10 has relatively high ionization potential and low electron affinity. The obtained ionization potentials from the G 0 W 0 @PBE calculation showed that the larger cluster has less variation, whereas the electron affinities of the series have an increasing trend. The ionization potentials from the G 0 W 0 benchmark for the calcium cluster series have not yet been described in the literature.

Prediction of ternary alkaline-earth metal Sn(II) and Pb(II) chlorides with potential applications as p-type transparent conductors.

Non-metallic Sn(II) and Pb(II) compounds, particularly those with p-type properties, are essential functional materials due to their notable electronic arrangement and chemical characteristics. The presence of additional Sn(II) and Pb(II) chlorides is suggested by the existence of known Sn(II) and Pb(II) compounds. By utilizing first-principles calculations and swarm intelligence structure search techniques, we have predicted the existence of up to seven new ternary alkaline-earth metal chlorides: ABCl4 (where A = Sr and B = Sn or Pb) and AB2Cl6 (where A = Mg, Ca, or Ba and B = Sn, or A = Ca or Sr and B = Pb). These seven chlorides are in the divalent state. The interaction between Sn-5s (or Pb-6s) and Cl-3p in these compounds creates an anti-bonding effect in the upper valence bands, which enhances defect tolerance and promotes high p-type conductivity. These stable chlorides exhibit notable electronic properties, including wide band gaps ranging from 3.91 to 4.94 eV, broad hole effective masses ranging from 0.93 to 5.62 m0, and high valence band alignments ranging from 6.83 to 8.38 eV under vacuum. In particular, Ca/BaSn2Cl6 and CaPb2Cl6 have the potential to be used as p-type transparent conductors due to their favorable properties, including a lower hole effective mass (0.93 m0 for CaPb2Cl6) and higher ionization potentials (6.83/7.05 eV for Ba/CaSn2Cl6). Furthermore, the predicted CaPb2Cl6 crystal exhibits attenuated negative linear compressibility and negative zero-linear-compressibility along the c-axis in different pressure ranges due to its wine-rack structure. This report highlights potential applications for alkaline-earth metal Sn(II) and Pb(II) chlorides, including their use as transparent conductors, particularly p-type conductors.

Aromatic systems with two and three pyridine-2,6-dicarbazolyl-3,5-dicarbonitrile fragments as electron-transporting organic semiconductors exhibiting long-lived emissions.

The pyridine-3,5-dicarbonitrile moiety has gained significant attention in the field of materials chemistry, particularly in the development of heavy-metal-free pure organic light-emitting diodes (OLEDs). Extensive research on organic compounds exhibiting thermally activated delayed fluorescence (TADF) has led to numerous patents and research articles. This study focuses on the synthesis and investigation of the semiconducting properties of polyaromatic π-systems containing two and three fragments of pyridine-2,6-dicarbazolyl-3,5-dicarbonitrile. The compounds are synthesized by Sonogashira coupling reactions and characterized by steady-state and time-resolved luminescence spectroscopy. The compounds show efficient intramolecular charge transfer (ICT) from the donor to the acceptor. The photoluminescence (PL) spectra of the solutions of the compounds showed non-structured emission peaks in the visible region, which are attributed to ICT emission. The PL intensities of the solutions of the compounds are enhanced after deoxygenation, which is indicative of TADF. The photoluminescence quantum yields and TADF properties of the compounds are sensitive to the medium. Cyclic voltammetry measurements indicate good hole-blocking and electron-injecting properties due to their high ionization potentials. Photoelectron spectroscopy and time-of-flight measurements reveal good electron-transporting properties for one of the compounds. In general, polyaromatic π-systems with pyridine-3,5-dicarbonitrile fragments demonstrate promising potential for use in organic electronic devices, such as OLEDs.

The Effects of ArC Voltage and Shielding Gas Type on the Microstructure of Wire ArC Additively Manufactured 2209 Duplex Stainless Steel

Abstract Duplex stainless steels (DSSs) are widely used due to their corrosion resistance. Austenite and ferrite determine the excellent properties. Ferrite provides strength and good corrosion resistance, while austenite provides toughness and weldability. During our research, samples were produced with ER 2209 duplex steel wire using wire arc additive manufacturing (WAAM). Two different 17 V and 19 V arc voltages were used during the production. Two shielding gases were used for each voltage: M12-ArC-2.5 and M12-ArHeC-20/2. The research aimed to determine the ferrite ratio as a function of the welding parameters. The ferrite (or austenite) content must be between 30% and 70% for duplex stainless steel welds, according to the ISO 17781 standard. Based on our research, it can be stated that the austenite ratio increases as the voltage increases, thus failing to fulfill the standard's requirements. The helium content reduced the ferrite ratio even when the 17 V voltage was used due to the gas's higher ionization potential. During the metallographic examination, our welded samples met the standard requirements for the austenite content for 17 V arc voltage and M12-ArC-2.5 shielding gas. The ferrite content in the entire sample cross-section fell between 30-42% during feritscope and image analysis measurements. These welding parameters can be recommended for industrial applications.

What is TADF (thermally activated delayed fluorescence) compared to the mechanisms of FL (fluorescence), PH (phosphorescence), and TTA (triplet–triplet annihilation) based on a novel naphthalimide sulfonylphenyl derivative as a host?

One of the biggest challenges in the field of optoelectronics is to easily identify the mechanisms involved in light-emitting materials. There are several different mechanisms of emission, and the best known are fluorescence (FL), phosphorescence (PH), thermally activated delayed fluorescence (TADF), and triplet–triplet annihilation (TTA). In this study, simple ways to diagnose these mechanisms are presented with an example. N,N-di(benzenesulfonylphenyl)-N-(N-2-aminomethylpyridine-1,8-naphthalimide)amine is synthesized as a host compound due to its high HOMO-LUMO and ionization potential (IP) values and three emitters consisting of 50 wt% Bis (1phenylisoquinoline))(acetylacetonate)iridium(III) (Ir(piq)2(acac)), 10-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-9,9-dimethyl-9,10-dihydroacridine (DMAC-TRZ) and 1,1′-(2,5-Dimethyl-1,4-phenylene)dipyrene (DMPPP) were considered. Overall, the host compound, doped Ir(piq)2(acac) and doped DMPPP follow the mechanisms of FL, the combination of FL and PH, and the combination of FL and TTA, as the photoluminescence (PL) decay life time and the PL intensity increased with decreasing temperature. However, DMAC-TRZ doped with the host compound showed the TADF mechanism, as the PL decay lifetime and the PL intensity increase simultaneously with increasing temperature. In addition, the difference between the singlet excited state (S1) and the triplet excited state T1 (ΔEST) from the PL and PH spectra at 77 K for the spin-coated DMAC-TRZ-doped host show the lowest value in between the samples at 0.02 eV, and the reverse intersystem crossing (rISC) effect is activated. Moreover, the linear slopes of the power dependence analysis of the DMPPP-doped host were calculated to be 2.04 and 0.91, indicating that there are two components (photons) for this sample which is strong evidence for the TTA mechanism. Taking into account the synthesized host compound, (Ir(piq)2(acac):host), (DMAC-TRZ:host) and (DMPPP:host) as emitter layers, the organic light emitting diodes (OLEDs) were fabricated via solution processing, and the TADF OLED exhibited the highest efficiency among the other OLEDs.

Can methylated purine bases act as photoionization hotspots?

The direct photoionization of DNA canonical bases under ultraviolet radiation is difficult due to the high ionization potentials. According to previous quantum chemical calculations, methylation can have great influence on the ionization potential. Are methylated nucleobases prone to photoionization and cause DNA damage? As an important epigenetic modification in transcription, expression, and regulation of genes, it is of great biological significance to explore the effect of methylation on base photoionization from the experimental perspective. Herein, we study the photoionization behavior of methylated purines 6 mA and 6mG at 266 nm using a nanosecond transient UV-Vis spectroscopy. The hydrated electron and methylated base radicals are observed, indicating the occurrence of photoionization for both 6mG and 6 mA. We measured one-photon ionization yields to be (5.0 ± 0.2) × 10-3 and (1.4 ± 0.2) × 10-3 for 6mG and 6 mA, respectively. These are higher than those of (dA)20 and (dA20 )·(dT20 ) previously reported, indicating that methylation significantly promotes base photoionization with a stronger effect than base stacking, consistent with calculations in literature. Given that the hydrated electrons and methylated base radicals from photoionization can trigger a cascade of deleterious reactions, the methylated purine bases may act as hotspots of DNA photoionization damage of living organisms.

Exploring novel naphthalene-fused octacyclic core-based non-fullerene acceptor materials with augmented optoelectronic attributes for stable and efficient solar cells

To meet the growing need for high-efficiency photovoltaic materials in today's high-tech applications, ten acceptor molecules (SH01-SH10) with naphthalene-fused octacyclic electron-donating central core NITT are proposed. End-capped structural-alterations on reference R (NITT-2F) with strong electron-drawing groups (A01-A10) are performed for attaining improved optoelectronic characteristics and possible applications in organic solar cells (OSCs). In comparison to the reference R (NITT-2F), key parameters such as FMO analysis, energy gap (Egap), open-circuit voltage (VOC), absorption spectra (λmax), excitation energy (Ex), transition density matrix (TDM) with binding energy (Eb), the density of states (DOS), reorganization energy of the electron (λe) and hole (λh), and charge transfer with PM6 donor substance are perceived. It is found that all proposed molecules (SH01-SH10) have a reduced energy gap (2.104–1.901 eV), a broader absorption spectrum (707–820 nm), and smaller excitation energy (1.75–1.51 eV) as compared to reference molecule NITT-2F values 2.132 eV, 675 nm and 1.79 eV respectively. The significant charge transfers and 0.23 eV decrease in the Egap is noted for the designed molecule SH05. Results confirmed that all proposed molecules, especially SH05 could be an excellent choice for OSCs candidate due to the combination of strong electron-withdrawing effect in end-capped acceptor unit and extended conjugation, as well as its promising photovoltaic properties, which include the lowest Egap (1.901 eV), highest λmax (820 nm (in chloroform) and 729 nm (in gas phase)) with Ex values of 1.51 and 1.70 eV respectively, slightest electron mobility (λe = 0.0090 eV) and hole mobility (λh = 0.0073 eV), highest ionization potential (6.826 eV) and electron affinity (3.384 eV), and fine value of VOC=1.02 V with respect to (ǀEPM6HOMOǀ - ǀESH05LUMOǀ). End-capped acceptor alterations are an acceptable way to attain the desired optoelectronic characteristics demonstrated in this research work. This study can be essential in achieving efficient novel non-fullerene OSCs with higher performance, low cost, and higher optical absorption coefficient. Thus, proposed molecules (SH01-SH10) with proficient electron and hole transfer mobilities and optoelectronic features are recommended to develop higher-efficiency solar cells.

Single-atom Mo–Co catalyst with low biotoxicity for sustainable degradation of high-ionization-potential organic pollutants

Single-atom catalysts (SACs) are a promising area in environmental catalysis. We report on a bimetallic Co-Mo SAC that shows excellent performance in activating peroxymonosulfate (PMS) for sustainable degradation of organic pollutants with high ionization potential (IP > 8.5 eV). Density Functional Theory (DFT) calculations and experimental tests demonstrate that the Mo sites in Mo-Co SACs play a critical role in conducting electrons from organic pollutants to Co sites, leading to a 19.4-fold increase in the degradation rate of phenol compared to the CoCl2-PMS group. The bimetallic SACs exhibit excellent catalytic performance even under extreme conditions and show long-term activation in 10-d experiments, efficiently degrading 600 mg/L of phenol. Moreover, the catalyst has negligible toxicity toward MDA-MB-231, Hela, and MCF-7 cells, making it an environmentally friendly option for sustainable water treatment. Our findings have important implications for the design of efficient SACs for environmental remediation and other applications in biology and medicine.

X-Ray Activity Variations and Coronal Abundances of the Star–Planet Interaction Candidate HD 179949

We carry out detailed spectral and timing analyses of the Chandra X-ray data of HD 179949, a prototypical example of a star with a close-in giant planet with possible star–planet interaction (SPI) effects. We find a low coronal abundance A(Fe)/AH) ≈ 0.2 relative to the solar photospheric baseline of Anders & Grevesse, and significantly lower than the stellar photosphere as well. We further find low abundances of high first ionization potential (FIP) elements A(O)/A(Fe) ≲ 1, A(Ne)/A(Fe) ≲ 0.1, but with indications of higher abundances of A(N)/A(Fe) ≫ 1, A(Al)/A(Fe) ≲ 10. We estimate a FIP bias for this star in the range ≈ − 0.3 to −0.1, larger than the ≲ −0.5 expected for stars of this type, but similar to stars hosting close-in hot Jupiters. We detect significant intensity variability over timescales ranging from 100 s to 10 ks, and also evidence for spectral variability over timescales of 1–10 ks. We combine the Chandra flux measurements with Swift and XMM-Newton measurements to detect periodicities, and determine that the dominant signal is tied to the stellar polar rotational period, consistent with expectations that the corona is rotational-pole dominated. We also find evidence for periodicity at both the planetary orbital frequency and at its beat frequency with the stellar polar rotational period, suggesting the presence of a magnetic connection between the planet and the stellar pole. If these periodicities represent an SPI signal, it is likely driven by a quasi-continuous form of heating (e.g., magnetic field stretching) rather than sporadic, hot, impulsive flare-like reconnections.

Distributions of Mesoscale Periodic Structures in the Elemental and Ionic Composition of the Solar Wind

Multiple statistical and event studies based on in situ observations have shown that the solar wind contains mesoscale (∼ 100 – 10,000 Mm) periodic structures in the proton number density. Remote observations of such structures and event studies of concurrent variations in composition have demonstrated that they can form in the solar atmosphere and be preserved while advecting outwards through the heliosphere. Viall, Kepko, and Spence (J. Geophys. Res. (Space Phys.)113, A07101, 2008; J. Geophys. Res. (Space Phys.)114, A01201, 2009) and Kepko, Viall, and Wolfinger (J. Geophys. Res. (Space Phys.)125(8), e28037, 2020) have reported that periodic proton density structures preferentially occur at specific radial length scales and have published their distributions from Wind measurements near L1. Here, we conduct a statistical study of 14 years (1998 – 2011) of 12-minute composition data measured by the Solar Wind Ion Composition Spectrometer instrument aboard the Advanced Composition Explorer spacecraft. We found that the elemental and ionic composition also contain statistically significant mesoscale periodic structures and, for the first time, present occurrence distributions for elemental abundance ratios with low, intermediate, and high first ionization potentials as well as for key solar wind charge states. These distributions set important constraints on solar wind formation in general and the formation of periodic mesoscale solar wind structures specifically, as the elemental and ionic composition are known to be determined at the Sun and to not evolve during advection.

Choline Fluoride-Ethylene glycol deep eutectic solvent mixture – Synthesis and physicochemical properties

A critical factor in achieving tunability in DESs is varying the type of hydrogen bond acceptors (HBAs) and donors (HBDs). Choline halides (ChX), such as ChCl and ChBr, have been studied to investigate the effect of the choline anion on DESs. However, ChF-based DESs have been underrepresented in scientific research. ChF has excellent potential, such as high electron affinity, ionization potential, and strong hydrogen bond interactions. Moreover, ChF-based DES can lead to a deeper understanding of DESs due to the NMR-active 19F nuclear spin nature. We report the first synthesis and characterization of choline fluoride-EG (1:2, ChF:EG) DES, which we named “EthalineF.” We studied this mixture using various spectroscopic techniques, including NMR, FT-IR, Raman, and UV–vis spectroscopies. Polarity, density, viscosity, and conductivity measurements were collected as well. Transient absorption spectroscopy (TAS) was used to study the solvation dynamics of EthalineF. 19F NMR indicated that some fluoride anions (∼15%) are coordinated to the choline cation. In EthalineF, the new type of observed fluoride anions is proposed to be a tight-binding choline-fluoride ion pair. Further, EthalineF has a larger solvodynamic radius than Ethaline. This can explain the lower conductivity for EthalineF compared to Ethaline despite the higher fluidity and solvation dynamics for EthalineF.