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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Giant Magnetic and Optical Anisotropy in Cerium-Substituted M-Type Strontium Hexaferrite Driven by $4f$ Electrons

By performing density-functional calculations, we find a giant magnetocrystalline anisotropy (MCA) constant in abundant element cerium $\mathrm{Ce}$ substituted M-type hexaferrite, in the energetically favorable strontium site, assisted by a quantum confined electron transfer from $\mathrm{Ce}$ to a specific iron $\mathrm{2a}$ site. Remarkably, the calculated electronic structure shows that the electron transfer leads to the formation of $\mathrm{Ce}^{3+}$ and $\mathrm{Fe}^{2+}$ at the $\mathrm{2a}$ site producing an occupied $\mathrm{Ce}$$(4f^1)$ state below the Fermi level that adds a significant contribution to MCA and magnetic moment. A half $\mathrm{Ce}$ substitution forms a metallic state, while a full substitution retains the semiconducting state of the strontium hexaferrite (host). In the latter, the band gap is reduced due to the formation of charge-transferred states in the gap region of the host. The optical absorption coefficient shows an enhanced anisotropy between light polarization in parallel and perpendicular directions. Calculated formation energies, including the analysis of probable competing phases, and elastic constants confirm that both compositions are chemically and mechanically stable. With successful synthesis, the $\mathrm{Ce}$ hexaferrite can be an alternative high-performing critical-element-free permanent magnet material adapted for use in devices such as automotive traction drive motors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Emergent Ferromagnetism in CaRuO 3 /CaMnO 3 (111)-Oriented Superlattices

The boundary between CaRuO 3 and CaMnO 3 is an ideal test bed for emergent magnetic ground states stabilized through interfacial electron interactions. In this system, nominally antiferromagnetic and paramagnetic materials combine to yield interfacial ferromagnetism in CaMnO 3 due to electron leakage across the interface. In this work, we show that the crystal symmetry at the surface is a critical factor determining the nature of the interfacial interactions. Specifically, by growing CaRuO 3 /CaMnO 3 heterostructures along the (111) instead of the (001) crystallographic axis, we achieve a 3-fold enhancement of the magnetization and involve the CaRuO 3 layers in the ferromagnetism, which now spans both constituent materials. Importantly, the stabilization of a net magnetic moment in CaRuO 3 through strain effects has been long-sought but never consistently achieved, and our observations demonstrate the importance of interface engineering in the development of new functional heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2017

A van der Waals Inclusive Density Functional Theory Study of the Nature of Bonding for Thiophene Adsorption on Ni(100) and Cu(100) Surfaces

We report the results of the first-principles density functional theory calculations for the adsorption of thiophene (C 4 H 4 S) on Cu(100) and Ni(100) surfaces. The adsorption properties on these surfaces are evaluated for several adsorption configurations, and the calculations are performed with the inclusion of van der Waals (vdW) interactions invoking the optimized vdW (optB86b-vdW, optB88-vdW, and optPBE-vdW) as well as revPBE-vdW and rPW86-vdW2 functionals. In agreement with the earlier reports, on both surfaces, the most stable adsorption configurations correspond to the hollow-45 at which the thiophene adsorbs parallel to the surface. For the adsorption on Ni(100), in agreement with the experimental observations, we confirm that thiophene spontaneously ruptures via breaking of a C–S bond when the center of the molecule is placed over a bridge site. On the basis of both the bond distribution and charge transfer analysis, we conclude that the rupturing of thiophene observed at the bridge-45 configuration on Ni(100) may result from large charge transfer from the surface. The analyses of the electronic and geometric structures and charge transfer reveal that the interaction of the thiophene molecule with Ni(100) is much stronger than that of the Cu(100) surface. Upon adsorption of the molecule, for the former surface, we observed much larger charge transfer, non-negligible changes in the positions of the surface atoms, and appreciable electronic structure changes (i.e., in the center and width of the d-band). The adsorption of thiophene on Ni(100) also leads to the decrease in the magnetic moment of the surface Ni atoms particularly those in the vicinity of the adsorbed molecule. All these observations considered, we conclude that the nature of bonding on Ni(100) can be classified as strong chemisorption, while on Cu(100) it can be classified between weak and strong physisorption depending on the vdW functional used.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Magnetic properties of double perovskite L n 2 CoIrO 6 ( L n = Eu , Tb , Ho ) : Hetero-tri-spin 3 d - 5 d - 4 f systems

The field of double perovskites is now advancing to three magnetic elements on the A, B and B' sites. A series of iridium-based double perovskite compounds, Ln 2 CoIrO 6 (Ln = Eu, Tb, Ho), with three magnetic elements was synthesized as polycrystalline samples. The compounds crystalize in monoclinic structures with the space group P2 1 /n. Magnetic properties of these hetero-tri-spin 3 d-5 d-4 f systems were studied by magnetic susceptibility and field dependent magnetization in both DC and pulsed magnetic fields. All these compounds show ferrimagnetic transitions at temperatures T C above 100 K, which are attributable to antiferromagnetic coupling between Co 2+ and Ir 4+ spins. For Eu 2 CoIrO 6 , the magnetic properties are similar to those of La 2 CoIrO 6 . The Eu 3+ spins show Van Vleck paramagnetism, and do not significantly interact with transition-metal cations. In contrast, Tb 2 CoIrO 6 and Ho 2 CoIrO 6 reveal a second transition to antiferromagnetic order below a lower temperature T N . The temperature-induced ferrimagnetic-to-antiferromagnetic phase transition might be explained by a spin-reorientation transition. Moreover, a magnetic-field-induced spin-flop-like transition with a small hysteresis was observed below T N in these two compounds. The magnetic moments of all three compounds do not saturate up to 60 T at low temperatures. A moderate magnetocaloric effect was also observed in all three compounds. Our results should motivate further investigation of the spin configuration on single crystals of these iridium-based double perovskites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Chirality in the Kagome Metal CsV 3 ⁢Sb 5

Using x-ray photoelectron diffraction (XPD) and angle-resolved photoemission spectroscopy, we study photoemission intensity changes related to changes in the geometric and electronic structure in the kagome metal CsV 3 ⁢Sb 5 upon transition to an unconventional charge density wave (CDW) state. The XPD patterns reveal the presence of a chiral atomic structure in the CDW phase. Furthermore, using circularly polarized x-rays, we have found a pronounced nontrivial circular dichroism in the angular distribution of the valence band photoemission in the CDW phase, indicating a chirality of the electronic structure. This observation is consistent with the proposed orbital loop current order. In view of a negligible spontaneous Kerr signal in recent magneto-optical studies, the results suggest an antiferromagnetic coupling of the orbital magnetic moments along the 𝑐 axis. Here, while the inherent structural chirality may also induce circular dichroism, the observed asymmetry values seem to be too large in the case of the weak structural distortions caused by the CDW.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1972

A model for Jupiter's proton radiation belt

A model for electron and proton energy and density in Jupiter's radiation belt is proposed. It is assumed that electrons diffuse inward from the solar wind. The Davis and Chang diffusion model, in which there is a very steep L-shell dependence in density and energy, is scaled outwards from the peak of the belts at about 1.5 to 2 Jupiter radii to the magnetopause as defined by the magnetic moment. The energetic electron density is calculated to be one billionth of the density in the solar wind, and that is assumed to be the trapping ratio of Jupiter's synchrotron belts. It is further assumed that the same figures apply to protons. The flux density at 80 MHz was measured by the Culgoora ring to be identical to that at 3000 MHz, implying a constant flux density of the synchrotron source of over 20 or 30 to 1 in frequency. It is suggested that the synchrotron spectrum is flat over more than an order of magnitude of frequency. Jupiter is an enormous synchrotron source and has a strong magnetic field, causing long diffusion times for electrons in the magnetosphere.

Warwick, J.↗
DOE OSTI2023

Magnetic and Magnetocaloric Properties of the A 2 LnSbO 6 Lanthanide Oxides on the Frustrated fcc Lattice

Frustrated lanthanide oxides are promising candidates for cryogen-free magnetic refrigeration due to their suppressed ordering temperatures and high magnetic moments. While much attention has been paid to the garnet and pyrochlore lattices, the magnetocaloric effect in frustrated face-centered cubic (fcc) lattices remains relatively unexplored. We previously showed that the frustrated fcc double perovskite Ba 2 GdSbO 6 is a top-performing magnetocaloric material (per mol Gd) because of its small nearest-neighbor interaction between spins. Here we investigate different tuning parameters to maximize the magnetocaloric effect in the family of fcc lanthanide oxides, A 2 LnSbO 6 (A = {Ba 2+ , Sr 2+ } and Ln = {Nd 3+ , Tb 3+ , Gd 3+ , Ho 3+ , Dy 3+ , Er 3+ }), including chemical pressure via the A site cation and the magnetic ground state via the lanthanide ion. Bulk magnetic measurements indicate a possible trend between magnetic short-range fluctuations and the field-temperature phase space of the magnetocaloric effect, determined by whether an ion is a Kramers or a non-Kramers ion. We report for the first time on the synthesis and magnetic characterization of the Ca 2 LnSbO 6 series with tunable site disorder that can be used to control the deviations from Curie–Weiss behavior. Taken together, these results suggest fcc lanthanide oxides as tunable systems for magnetocaloric design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Moiré Exchange Effect in Twisted WSe 2 /WS 2 Heterobilayer

Moiré superlattices of layered transition metal dichalcogenides are proven to host periodic electron crystals due to strong correlation effects. These electron crystals can also be intertwined with intricate magnetic phenomena. Here, in this Letter, we present our findings on the moiré exchange effect, resulting from the modulation of local magnetic moments by electron crystals within well-aligned WSe 2 /WS 2 heterobilayers. Employing polarization-resolved magneto-optical spectroscopy, we unveil a high-energy excitonic resonance near one hole per moiré unit cell (v=–1), which possesses a giant g factor several times greater than the already very large g factor of the WSe 2 A exciton in this heterostructure. Supported by continuum model calculations, these high-energy states are found to be dark excitons brightened through Umklapp scattering from the moiré mini-Brillouin zone. When the carriers form a Mott insulating state near v=–1, the Coulomb exchange between doped carriers and excitons forms an effective magnetic field with moiré periodicity. This moiré exchange effect gives rise to the observed giant g factor for the excitonic Umklapp state.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Low-temperature MnBi alloys: Electronic and magnetic properties, constitution, morphology and fabrication (Review article)

The article reviews the rich phenomena of physical properties of MnBi. The diverse phenomena include strong spin-orbit interaction, anomalous temperature dependence of the coercivity and the magneto-crystalline anisotropy field, unique magneto-optical properties. Issues addressed include the nature of the electronic ground states of MnBi, the electronic and magnetic structures, Fermi surface, magneto-crystalline anisotropy, x-ray magnetic dichroism. The discussion includes key experiments, such as optical and magneto-optical spectroscopic measurements, de Haas-van Alphen (dHvA) measurements, x-ray photoemission and x-ray absorption spectroscopy measurements as well as x-ray magnetic circular dichroism. The effect of the spin-orbit (SO) interaction and Coulomb repulsion U were found to be crucial for the Fermi surface, cyclotron masses, magneto-optical properties, and x-ray magnetic circular dichroism. The microscopic origin of unique magneto-crystalline anisotropy and giant Kerr effect in MnBi is analyzed in detail. The huge Kerr effect in MnBi is caused by the combination of a sizable magnetic moment on manganese, the large spin-orbit coupling of bismuth, and a strong hybridization between the manganese 3d and the bismuth 6p states. The magneto-optically active states are mainly the 6p states of Bi. We show that the observed temperature dependence of the magneto-crystalline anisotropy can be explained taking into account the spin-orbit interaction together with strong Coulomb electron-electron interaction. The SO coupling of Bi is equally responsible for the large magneto-crystalline anisotropy energy as is the exchange splitting of Mn. The fabrication, morphology, and constitution of low-temperature MnBi alloys in bulk, thin films, and nanoparticles are discussed. The nanocomposite permanent magnetic materials based on MnBi, (Co, Fe) and Nd 2 Fe 14 B are also discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Spin-orbital order and excitons in magnetoresistive HoBi

The magnetism of the rocksalt fcc rare-earth monopnictide HoBi, a candidate topological material with extreme magnetoresistance, is investigated. From the Ho 3+ non-Kramers J=8 spin-orbital multiplet, the cubic crystal electric field yields six nearly degenerate low-energy levels. These constitute an anisotropic magnetic moment with a Jahn-Teller-like coupling to the lattice. In the cubic phase for T>T N =5.72(1)K, the paramagnetic neutron scattering is centered at k=($\frac{1}{2}$$\frac{1}{2}$$\frac{1}{2}$) and was fit to dominant antiferromagnetic interactions between Ho spins separated by {100} and ferromagnetic interactions between spins displaced by {$\frac{1}{2}$ $\frac{1}{2}$ 0}. For T < T N , a type-II AFM long-range order with k=($\frac{1}{2}$$\frac{1}{2}$$\frac{1}{2}$) develops along with a tetragonal lattice distortion. While neutron diffraction from a multidomain sample cannot unambiguously determine the spin orientation within a domain, the bulk magnetization, structural distortion, and our measurements of the magnetic excitations all show the easy axis coincides with the tetragonal axis. Finally, the weakly dispersive excitons for T < T N can be accounted for by a spin Hamiltonian that includes the crystal electric field and exchange interactions within the random phase approximation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Observation of $\gamma\gamma\to\tau\tau$ in proton-proton collisions and limits on the anomalous electromagnetic moments of the $\tau$ lepton

The production of a pair of τ leptons via photon–photon fusion, ${{\unicode{x03B3}\unicode{x03B3}\to\unicode{x03C4}\unicode{x03C4}}}$, is observed for the first time in proton–proton collisions, with a significance of 5.3 standard deviations. This observation is based on a data set recorded with the CMS detector at the LHC at a center-of-mass energy of 13 TeV and corresponding to an integrated luminosity of 138 fb$^{−1}$. Events with a pair of τ leptons produced via photon–photon fusion are selected by requiring them to be back-to-back in the azimuthal direction and to have a minimum number of charged hadrons associated with their production vertex. The τ leptons are reconstructed in their leptonic and hadronic decay modes. The measured fiducial cross section of ${{\unicode{x03B3}\unicode{x03B3}\to\unicode{x03C4}\unicode{x03C4}}}$ is $\sigma^\text{fid}_\text{obs} = 12.4 ^{+3.8}_{-3.1}\,\textrm{fb}$. Constraints are set on the contributions to the anomalous magnetic moment (${a_{\unicode{x03C4}}}$) and electric dipole moments (${d_{\unicode{x03C4}}}$) of the τ lepton originating from potential effects of new physics on the $\unicode{x03B3}\unicode{x03C4}\unicode{x03C4}$ vertex: ${a_{\unicode{x03C4}}} = 0.0009_{-0.0031}^{+0.0032}$ and $|{d_{\unicode{x03C4}}}| \lt 2.9\times 10^{-17}\,{e}\,\textrm{cm}$ (95% confidence level), consistent with the standard model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Interplay between unconventional superconductivity and heavy-fermion quantum criticality: CeCu 2 Si 2 versus YbRh 2 Si 2

In this paper the low-temperature properties of two isostructural canonical heavy-fermion compounds are contrasted with regards to the interplay between antiferromagnetic (AF) quantum criticality and superconductivity. For CeCu 2 Si 2 , fully-gapped d-wave superconductivity forms in the vicinity of an itinerant three-dimensional heavy-fermion spin-density-wave (SDW) quantum critical point (QCP). Inelastic neutron scattering results highlight that both quantum critical SDW fluctuations as well as Mott-type fluctuations of local magnetic moments contribute to the formation of Cooper pairs in CeCu 2 Si 2 . In YbRh 2 Si 2 , superconductivity appears to be suppressed at T ≳10 mK by AF order ( T N = 70 mK). Ultra-low temperature measurements reveal a hybrid order between nuclear and 4f-electronic spins, which is dominated by the Yb-derived nuclear spins, to develop at T A slightly above 2 mK. The hybrid order turns out to strongly compete with the primary 4f-electronic order and to push the material towards its QCP. Apparently, this paves the way for heavy-fermion superconductivity to form at T c = 2 mK. Like the pressure – induced QCP in CeRhIn 5 , the magnetic field – induced one in YbRh 2 Si 2 is of the local Kondo-destroying variety which corresponds to a Mott-type transition at zero temperature. Therefore, these materials form the link between the large family of about fifty low- T unconventional heavy – fermion superconductors and other families of unconventional superconductors with higher T c s, notably the doped Mott insulators of the cuprates, organic charge-transfer salts and some of the Fe-based superconductors. As a result, our study suggests that heavy-fermion superconductivity near an AF QCP is a robust phenomenon.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Helical magnetic order and Fermi surface nesting in noncentrosymmetric ScFeGe

Here, an investigation of the structural, magnetic, thermodynamic, and charge transport properties of noncentrosymmetric hexagonal ScFeGe reveals it to be an anisotropic metal with a transition to a weak itinerant incommensurate helimagnetic state below T N =36 K. Neutron diffraction measurements discovered a temperature and field independent helical wave vector k = (0 0 0.193) with magnetic moments of 0.53 μ B per Fe confined to the ab-plane. Density functional theory calculations are consistent with these measurements and find several bands that cross the Fermi level along the c-axis with a nearly degenerate set of flat bands just above the Fermi energy. The anisotropy found in the electrical transport is reflected in the calculated Fermi surface, which consists of several warped flat sheets along the c-axis with two regions of significant nesting, one of which has a wave vector that closely matches that found in the neutron diffraction. The electronic structure calculations, along with a strong anomaly in the c-axis conductivity at TN, signal a Fermi surface driven magnetic transition, similar to that found in spin density wave materials. Magnetic fields applied in the ab-plane result in a metamagnetic transition with a threshold field of ≈ 6.7 T along with a sharp, strongly temperature dependent discontinuity and a change in sign of the magnetoresistance for in-plane currents. Thus, ScFeGe is an ideal system to investigate the effect of in-plane magnetic fields on a helimagnet with a c-axis propagation vector, where the relative strength of the magnetic interactions and anisotropies determine the topology and magnetic structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Second Target Station Project (CHESS Technical Report)

CHESS is a direct geometry neutron spectrometer designed to detect and analyze weak signals intrinsic to small cross-sections (e.g., small mass, small magnetic moments or neutron absorbing materials). This instrument is optimized to enable unprecedented characterization of quantum materials, spin liquids, thermoelectric and battery materials, liquids, and soft matter. The ability to simultaneously measure dynamic processes over a wide energy range for very small samples will make CHESS the spectrometer of choice for the initial exploration of new materials. The broad dynamic range will also be well matched to measurements of relaxation processes and excitations in soft and biological matter. The 15 Hz repetition rate of STS enables use of multiple incident energies within a single source pulse, greatly expanding the information gained in a single experiment. An essential feature of CHESS is the capability for polarization analysis to separate nuclear from magnetic scattering or coherent from incoherent scattering in hydrogenous materials, and better understanding spin-anisotropic correlations. This instrument will employ advanced sample environments such as high-pressure cells, dilution refrigerators, high field cryo-magnets and polarization devices, as well as combinations of these, to solve problems at the forefront of materials research. CHESS will be one of the flagship spectrometers of the Second Target Station (STS), providing world leading capabilities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Growth, discovery and characterization of single crystalline Eu 0.8 Pt 6 Al 16.4

Here, we report the discovery of a ternary compound, Eu 0.8 Pt 6 Al1 6.4 . We determine its chemical and structural characteristics based on energy-dispersive X-ray spectroscopy as well as both powder and single-crystal X-ray diffraction, demonstrating that it crystallizes in a hexagonal structure type EuPt 6 Al 17 with no reported structural analog. The temperature- and field-dependent magnetization, and temperature-dependent resistance measurements, reveal that the Eu 2+ magnetic moments order antiferromagnetically below 2.8 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Pressure-induced magnetovolume effect in CoCrFeAl high-entropy alloy

High-entropy alloys (HEAs) composed of multiple-principal elements with (nearly) equimolar ratio establish a new conceptual framework for alloy design and hold a promise for extensive applications in industry, akin to the controlled expansion alloys (CEAs), such as Invar alloys. Spontaneously, one question emerges - would it be possible to synthesize a novel class of alloys combining the virtues of both CEAs and HEAs? Here, we report the pressure-induced magnetovolume effect in the body-centered-cubic CoCrFeAl HEA coupled with magnetic phase transitions from ferromagnetic to paramagnetic, and to non-magnetic states, originating from the successive collapses of local magnetic moments of Co and Fe. The observed magnetovolume anomalies, occurring in a progressive way, tailor appreciably the coefficient of thermal expansion of CoCrFeAl. These results further strengthen HEAs’ anticipated potential for designing multifunctional materials in virtue of their multiple outstanding properties, and reveal possible routes for their future synthesis.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Deciphering chemical order/disorder and material properties at the single-atom level

Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling ‘real’ materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily on average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. The work presented here combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure–property relationships at the fundamental level.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Synthesis and characterization of magnetic ionic liquids containing multiple paramagnetic lanthanide and transition metal centers and functionalized diglycolamide ligands

Magnetic ionic liquids (MILs) containing paramagnetic centers have gained widespread recognition as sustainable solvents due to their ability to respond to an external magnetic field. The physico-chemical properties of MILs are dependent on the choice of anion/cation ligands and metal centers; the search for highly tunable ligands and precursors that can confer favorable characteristics, such as low viscosity, is ongoing. Diglycolamides employed as cationic ligands have been previously shown to form hydrophobic MILs that can simultaneously incorporate multiple lanthanide metal centers in both the anion/cation. Despite their enhanced magnetic susceptibility, the effect of diglycolamide chemical structure modifications on the physico-chemical properties of MILs has not been thoroughly studied. Additionally, the possibility of forming diglycolamide-based MILs with popularly employed transition metals has not been investigated and combinations that can simultaneously embed two different types of metal centers in both the anion/cation have not been explored. In this study, thirty (30) MILs comprised of lanthanide and transition metals were synthesized by examining their chelation to both straight-chained and branched diglycolamides. Here, transition metal-based MILs were found to possess high thermal stabilities up to 235 °C compared to 192 °C for those comprised of lanthanides. While MILs comprised of rare-earth metal centers exhibited the lowest viscosities, substituting lanthanides with transition metals in just the anion or cation resulted in enhanced thermal stability and reduced viscosity. The effective magnetic moment for these MILs varied between 4.71 and 21.08 µ B and was much higher compared to all previous classes of MILs prepared using the same metals. Results from this study explore all possible modifications that can be made to these MILs in an effort to demonstrate their structural tunability, which is often highly desirable in various applications, including organic synthesis and chemical separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗