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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Anomaly Identification of Synchronized Voltage Waveform for Situational Awareness of Low Inertia Systems

Inverter-based resources (IBRs) such as photovoltaics (PVs), wind turbines, and battery energy storage systems (BESSs) are widely deployed in low-carbon power systems. However, these resources typically do not provide the inertia needed for grid stability, resulting in a low-inertia power system. IBRs and lack of inertia have been known to cause anomalies such as waveform distortions and wideband oscillations in power systems due to the limited inertia level, leading to increased generation trips and load shedding. Here, to achieve effective anomaly identification, this paper proposes a synchro-waveform-based algorithm utilizing real-time synchronized voltage waveform measurements from waveform measurement units (WMUs). In the proposed method, different physical characteristics, as well as statistical features, are extracted from synchronized voltage waveform measurements to filter anomalies. Then, the anomaly identification approach based on the random forest is developed and deployed into the FNET/GridEye system considering trade-offs among accuracy, computational burden, and deployment cost. Moreover, four WMUs are specially designed and deployed on Kauai Island to receive instantaneous synchronized voltage waveform measurements. To verify the performance of the proposed algorithm, different experiments are carried out with collected field test data. The result demonstrates that the performance of the proposed synchro-waveform-based anomaly categorization algorithm can accurately identify anomalies 95.35% of the time, which has comparable performance among benchmarking algorithms.

Situational awareness↗
DOE OSTI2025

Assessment of Thin Plastic Scintillation Detectors for Beta-Particle Measurements at the Advanced Test Reactor Critical Facility

The Fission Wire Measurement System is a custom measurement system designed in the 1960s to measure the beta-particle activity of irradiated uranium-aluminum fission wires. This measurement is conducted to determine the fission rate profile of the Advanced Reactor Test Critical facility. The Advanced Test Reactor Critical facility is an open-pool, low-power test reactor used to qualify experiment configurations and verify core models prior to full-power experiment irradiations in the Advanced Test Reactor. Power distribution measurements in ATR-C use uranium-aluminum wires that are distributed throughout the core to validate simulation and modeling results. These measurements require from 340 to 1500 wires to be irradiated and measured within a 12-hour window. The system consists of 4 measurement channels and one reference channel, each with a 2-pi proportional gas flow detector and the measurement channels each have an automated sample changer. The gas flow detectors are of a custom design for this detector system that use methane gas with a large anode wire compared to modern proportional counters. These detectors, which are nearly 60 years old are irreplaceable. The measurements from these gas detectors are affected by the gas flow rate, atmospheric and line pressure, and are very sensitive to the applied high voltage. Recent improvements have been made to the control and data acquisition system, but the detectors have remained the same. The nature of the measurement of the fission product decay activity is such that the energy spectrum of the signal is changing with time. Thin, 250-um thick, plastic scintillators were commercially obtained as a potential replacement for the gas flow detectors. The original calibration of the uranium-aluminum fission wires was conducted in 1965 using a series of irradiations of gold foils and the wires in a well-characterized thermal neutron field. These measurements provided a time-dependent fission rate conversion factor from the gold foil data to calibrate the fission wires based on the response from the 2-pi proportional gas detectors. Transitioning to the new detectors requires qualification and testing. The sensitivity of the scintillators to changes in the energy spectrum of the fission wires and translation of the calibration factor have been completed. These measurements indicated that the sensitivity of the scintillators over time changes at a different rate than the sensitivity of the gas flow detectors. However, the inverse activity of measurements of both detector types is linear with time. Initial results indicate that the scintillator detectors will be a sufficient replacement for the gas detectors with minor adjustments to the fission rate conversion factor. Replacement of the detectors will improve the fission wire measurements and provide a more stable and reliable measurement system.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2024

A Multiscale Inelastic Internal State Variable Corrosion Model

We present a corrosion internal state variable (ISV) damage model based upon the integrated computational materials engineering (ICME) hierarchical multiscale paradigm. Structure–property experiments for magnesium alloys were used where the only inputs were the volume fractions of each element of the periodic table. This macroscale ISV corrosion model finds its basis in Horstemeyer’s mechanical damage model, which includes three separate ISVs for damage nucleation, growth, and coalescence, as well as Walton’s inclusion of corrosion, which introduces five new ISVs for pit nucleation, growth, and coalescence, along with general corrosion and intergranular corrosion. While Walton’s corrosion ISVs are phenomenological in nature, herein we develop a multiscale physical basis for the corrosion ISVs. The parameters for the macroscale corrosion ISVs were garnered from the mesoscale Butler–Volmer equations. Pure magnesium with differing amounts of aluminum were used in corrosion tests to exemplify the different pitting, general corrosion, and intergranular corrosion rates, and the macroscale ISV model was calibrated with said data, in which the only inputs to the model are the volume percentages of the elements magnesium and aluminum. Although magnesium alloys were used to motivate and calibrate the model, the model is abstract enough to possibly capture other material systems as well.

Chemistry↗
DOE OSTI2025

The CosmoVerse White Paper: Addressing observational tensions in cosmology with systematics and fundamental physics.

The standard model of cosmology has provided a good phenomenological description of a wide range of observations both at astrophysical and cosmological scales for several decades. This concordance model is constructed by a universal cosmological constant and supported by a matter sector described by the standard model of particle physics and a cold dark matter contribution, as well as very early-time inflationary physics, and underpinned by gravitation through general relativity. There have always been open questions about the soundness of the foundations of the standard model. However, recent years have shown that there may also be questions from the observational sector with the emergence of differences between certain cosmological probes. In this White Paper, we identify the key objectives that need to be addressed over the coming decade together with the core science projects that aim to meet these challenges. These discordances primarily rest on the divergence in the measurement of core cosmological parameters with varying levels of statistical confidence. These possible statistical tensions may be partially accounted for by systematics in various measurements or cosmological probes but there is also a growing indication of potential new physics beyond the standard model. After reviewing the principal probes used in the measurement of cosmological parameters, as well as potential systematics, we discuss the most promising array of potential new physics that may be observable in upcoming surveys. We also discuss the growing set of novel data analysis approaches that go beyond traditional methods to test physical models. These new methods will become increasingly important in the coming years as the volume of survey data continues to increase, and as the degeneracy between predictions of different physical models grows. There are several perspectives on the divergences between the values of cosmological parameters, such as the model-independent probes in the late Universe and model-dependent measurements in the early Universe, which we cover at length. The White Paper closes with a number of recommendations for the community to focus on for the upcoming decade of observational cosmology, statistical data analysis, and fundamental physics developments.

Dienes, Keith [Univ. of Arizona, Tucson, AZ (Unite↗
DOE OSTI2024

Spectral Efficiency and Tandem Performance Calculators [SWR-24-92]

The Spectral Efficiency and Tandem Performance Calculators allow users to test material types for use in tandem photovoltaic devices to better understand if a given material could work well. The Spectral Efficiency (SE) calculator takes a set of current vs voltage (I-V) and quantum efficiency (QE) data along with a spectrum input and plots the spectral efficiency of the cells represented by the datasets for the spectrum provided. The Tandem Performance calculator uses the calculated spectral efficiency of top and bottom cells and the transmission data of the top cell to calculate performance metrics for a tandem device in either a two or four terminal architecture. The SE and Tandem Performance calculators are based on the following publication: Yu, Z., Leilaeioun, M. & Holman, Z. Selecting tandem partners for silicon solar cells. Nat Energy 1, 16137 (2016).

Warren, Emily↗
DOE OSTI2024

HELIUM LEAK TEST MODELING OF A SPENT NUCLEAR FUEL CANISTER

The U.S. Department of Energy (DOE) is considering the development of one or more federal consolidated interim storage facilities (CISFs) to be used to store commercial spent nuclear fuel (SNF) at locations in the U.S. One of the first technical challenges of a CISF is performing an inspection of SNF canisters upon their receipt to confirm they can be placed into the CISF’s licensed storage configuration. The canister receipt inspection is critical to CISF site operations. The test is conceived as being a helium (He) leak check, intended to confirm that the confinement boundary of a SNF canister is intact. SNF canisters are filled with He when they are sealed, so detection of a He leak indicates that a through-wall flaw has occurred in the canister confinement boundary. Other measurements are planned to occur upon canister receipt in addition to the He leak check such as krypton-85 measurements, which would indicate confinement breaches of one or more fuel rods in addition to a breach of the SNF canister. However, the He leak check has been identified as one of such high importance and has such significant technical challenges that a full-scale demonstration is needed to confirm the He leak test’s viability and to assist in planning relative to its operational requirements. A modeling methodology for simulating the He detection test was developed to help inform the test plan and the design of the test vessels. To develop the modeling methodology a detailed computational fluid dynamics (CFD) benchmark model was constructed to compare against leak rate test data from a transportation package for radioactive material. This report is focused on modeling efforts to simulate the benchmark leak test.

Suffield, Sarah R.↗
DOE OSTI2025

Development and preliminary validation of a mechanistic multiscale model for fuel-cladding chemical interaction in metallic nuclear fuels

Despite decades of fuel rod material and design improvements, fuel-cladding chemical interaction (FCCI) remains the single-most lifetime-limiting behavior for modern metallic fuel rods. Constraining fuel lifetime increases operating costs, limiting the economic viability of commercializing metallic nuclear fuel technology. A mechanistic multiscale model utilizing the finite element method-based MARMOT and BISON codes was developed to more confidently predict cladding-side FCCI and its impact on fuel performance. The new BISON model incorporates mesoscale models for the effects of fuel microstructure evolution on the transport of wastage-inducing lanthanides through the fuel and for the kinetics of cladding wastage layer growth. The mesoscale models, in turn, build on lanthanide transport property data obtained from the atomistic scale. Preliminary validation studies using wastage thickness and cladding profilometry data from four fuel rods irradiated in Experimental Breeder Reactor II experiment X447 and one fuel rod from Fast Flux Test Facility experiment IFR1 show that the new model predicts cladding wastage and its effects on cladding deformation as well as existing empirical FCCI correlations. The new model is expected to aid in the design of new metallic fuel concepts, including fuel additives, cladding liners, and sodium-free annular fuel geometries. In conclusion, future work will focus on broader validation and refinement of the model’s treatment of different fuel alloys and cladding materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Constraints on fifth forces and ultralight dark matter from OSIRIS-REx target asteroid Bennu

It is important to test the possible existence of fifth forces, as ultralight bosons that would mediate these are predicted to exist in several well-motivated extensions of the Standard Model. Recent work indicated asteroids as promising probes, but applications to real data are lacking so far. Here we use the OSIRIS-REx mission and ground-based tracking data for the asteroid Bennu to derive constraints on fifth forces. Our limits are strongest for mediator masses m ~ (10 -18 -10 -17 ) eV, where we currently achieve the tightest bounds. These can be translated to a wide class of models leading to Yukawa-type fifth forces, and we demonstrate how they apply to U(1) B dark photons and baryon-coupled scalars. Our results demonstrate the potential of asteroid tracking in probing well-motivated extensions of the Standard Model and ultralight bosons near the fuzzy dark matter range.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Optimization of spray breakup model parameters for predicting fuel spray and film characteristics in gasoline direct injection engines

This study investigated the behavior of gasoline direct injection (GDI) sprays using computational fluid dynamics (CFD). The authors developed an approach to identify optimal spray breakup model parameters by evaluating an error function across numerous simulations, with the goal of minimizing discrepancies from experimental data. Using the optimal setup, the simulated spray matched well with projected liquid volume distributions, liquid penetration, and spray width measured in a constant-pressure continuous-flow chamber. To further validate the approach, the same setup was tested across various fuels, injectors, and operating conditions. Subsequently, the optimal setup, along with a recently developed spray-wall interaction model, were applied to a direct-injection spark-ignited engine under late-injection conditions to predict and evaluate fuel film formation and evolution at varying engine coolant temperatures. Here, with the centrally mounted injector directing the spray toward the piston, simulations indicated that the spray tends to impinge on the piston surface. The proposed simulation framework also accurately captured the aggregate film area on the piston surface, aligning with previously published experimental results. Moreover, simulations showed that increasing the coolant temperature from cold start conditions (333 K) to warm conditions (363 K) reduced the fuel mass deposited on the piston by roughly 50%. Furthermore, for the spray-guided engine configuration studied in this work, the CFD model predicted minimal film deposition on the spark plug electrodes regardless of the coolant temperatures due to a relatively weak in-cylinder flow during the compression phase.

Computational fluid dynamics (CFD)↗
DOE OSTI2025

Wellbore Fracture Imaging Using Inflow Detection Measurements

One of the most striking measurements taken during DOE’s EGS Collab project at the 4850-foot depth location was the so-called ‘sewer cam’, which enabled direct visualization of the flow of water into the production well through fractures during the stimulation. The ability to see directly which fractures were flowing and (roughly) how much was a breakthrough in understanding the topology of the created fracture network. Achieving this kind of fracture flow imaging at FORGE would be more challenging because of the 225°C temperature, but equally or even more valuable if it could be achieved. In 2017, a joint project between Sandia and Stanford developed a downhole tool concept to measure the enthalpy of multiphase fluid entering a geothermal well from individual fractures (Gao et al., 2017). For the FORGE project, measuring enthalpy is of less interest because the fluid is expected to be single-phase liquid water. However, the foundation of the device was the measurement of chloride ion concentration, which could form the basis for a direct measurement of inflow from fractures. During the 2017 project, this novel chloride sensing system was implemented into a laboratory test instrument, and we confirmed the capability of the system to measure the ion concentration of fluid entering a model wellbore through a small entry port. The wellbore was a 6-inch diameter model well, and the port was approximately 0.08 inch (2mm) in diameter. The device could measure the chloride concentration accurately even when the well was flowing in a bubbly flow. Given its accuracy, the tool should be able to identify locations of water entering the wellbore even if the ion concentration differs only slightly from that of the water in the well. It is likely that different fractures may flow slightly different chloride concentrations, which would make it feasible to detect individual fractures as well as to estimate the volume of their flow. Ultimately, we could also recognize different fractures flowing back significantly different ion concentrations after fracturing in the FORGE wells. This could be realized by adding different ions in the fracturing fluids in different fractures created at different stages of stimulation (and modifying the tool to include different ion specificity). Sandia’s tool was shown during the study to have the capability to withstand the 225°C temperature, and the electrochemical sensing elements were tested in the laboratory to 225°C at 1500 psia for 24 hours. An early implementation of the fully integrated downhole electrochemical tool, including high-temperature electronics, robust housing, and wireline truck interface, had previously been constructed and tested successfully at Sandia; thus, hardware development tasks focused on advancing the technology readiness level (TRL) of this promising technology for FORGE deployment, rather than on developing a new scientific basis for its operation. The data collection electronics in this tool allowed for several other sensors (pressure, temperature, flow spinner) to be implemented in parallel as well. The research was a new collaboration between Stanford and Sandia to modify and refine the tool for FORGE deployment, to make the downhole measurements, and to characterize the evolving fractures.

15 GEOTHERMAL ENERGY↗
DOE OSTI2025

Modeling the formation of Sedan Crater using the FLAG and HOSS codes

Numerical modeling of explosion crater formation requires accounting for complex physical processes. Numerical validation of explosion cratering is an important step in modeling and requires experimental data for comparison. Models using discrete elements and continuum models have both benefits and drawbacks to their approaches. In this work, we consider both an arbitrary Lagrangian–Eulerian (ALE) hydrocode and a finite discrete element method (FDEM) approach to modeling the formation of the Sedan crater, the largest human-made crater in the United States. The Sedan crater formed from an underground nuclear detonation in the Nevada desert as part of Project Plowshare. Our models show that the continuum approach of the hydrocode matched well compared to early test time prior to the mound rupture and subsequent fireball venting, when most of the alluvium exhibited fluid behavior. Our FDEM approach matched the final crater dimensions well, after material had settled back into the crater, when material strength and solid mechanics play key roles. Our work shows how leveraging the benefits of multiple numerical approaches can lead to better understanding of complex physical problems, especially problems with limited experimental data. By using a continuum approach to early-time hydrodynamics and an FDEM approach to later-time solid mechanics, we can better understand the different physical regimes of explosion crater formation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A physics-constrained neural ordinary differential equations approach for robust learning of stiff chemical kinetics

The high computational cost associated with solving for detailed chemistry poses a significant challenge for predictive computational fluid dynamics (CFD) simulations of turbulent reacting flows. While deep learning techniques have been explored to develop faster surrogate models, they often fail to integrate reliably with CFD solvers. This instability arises because traditional deep learning approaches optimize for training error without ensuring compatibility with ordinary differential equation (ODE) solvers, resulting in accumulation of errors over time. Recently, neuralODE (NODE) based approaches have been shown to be a promising technique to emulate and accelerate detailed chemistry computations. Here, in the present work, we extend this NODE framework for stiff chemical kinetics by incorporating mass conservation constraints directly into the loss function during training. This ensures that the total mass as well as the individual elemental species masses are conserved in an a-posteriori manner. Proof-of-concept studies are performed with the novel physics-constrained NODE (PC-NODE) approach for homogeneous autoignition of hydrogen-air mixture over a range of composition and thermodynamic conditions. It is demonstrated that the PC-NODE framework not only improves the physical consistency of the resulting data-driven model with respect to mass conservation criteria, but also improves training efficiency. PC-NODE is shown to achieve 2–100× speedup relative to the hydrogen-air detailed chemical mechanism depending on the type of the ODE solver (implicit or explicit) used during autoregressive inference tests. Lastly, a-posteriori studies are performed wherein the trained PC-NODE model is coupled with a CFD solver. It is shown that higher accuracy is achieved with PC-NODE relative to the purely data-driven NODE approach. Moreover, PC-NODE also exhibits robustness and generalizability to unseen initial conditions from within (interpolative capability) as well as outside (extrapolative capability) the training regime.

computational combustion↗
DOE OSTI2026

Machine learning at the Spallation Neutron Source accelerator and target

We describe the ongoing efforts to apply Machine Learning techniques to improve the performance of our accelerator and target. Specially, we are looking to minimize halo beam losses in the absence of a proper physics model, automatically detect and log anomalies in the target support systems such as cooling, and detect and prevent errant beam pulses in the linac. We also describe the infrastructure we use to acquire and stream data to the GPU cluster for training, our code development cycle, and edge computing for model inference. To minimize halo beam losses, we use a Reinforcement Learning technique tested on a virtual accelerator. The target anomaly detection is trained on archived data using incomplete physics models and is made part of the existing target reporting system. The errant beam prevention analyzes beam current and beam phase waveforms as well as accelerator configuration data to predict errant pulses. We also develop continual learning to adapt to changes in the accelerator.

Accelerator Physics↗
DOE OSTI2024

Scattering Calorimeter FY24 Deliverable Report

A simulation-based method has been developed to prototype new detector designs for nuclear data measurements utilizing neutron scattering. This method uses representative physics inputs for signal and background generation, full detector resolution smearing benchmarked by experimental data, and a neutron beam timing simulation to produce analyzable output like a physical measurement. A test case has been studied using a hybrid time-of-flight calorimeter detector for scattering cross-section measurements on 239 Pu with 1-5 MeV incident monoenergetic neutrons. Data analysis methods have been developed to perform event-level particle reconstruction and reaction channel discrimination. This analysis has been used to estimate the capability of the test detector to perform simultaneous scattering and fission cross section measurements, as well as its ability to provide neutron spectra and particle angular information.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Developing and Managing Data Acquisition Software Using Spack

The Data Acquisition systems of particle physics experiments regularly push the boundaries of high-throughput computing, demanding low-latency collection of data from thousands of devices, collating data into time-sliced events, processing these events and making trigger decisions, and writing the selected data streams to disk. To accomplish these tasks, the DAQ Engineering and Operations department at Fermilab leverages multiple software libraries and builds reusable DAQ frameworks on top. These libraries must be delivered in well-defined bundles and are thoroughly tested for compatibility and functionality before being deployed to live detectors. We have several techniques used to ensure that a consistent set of dependencies can be delivered and re-created at need. We must also support active development of DAQ software components, ideally in an environment as close as possible to that of the detectors. This development often occurs across multiple packages which have to be built in concert and features tested in a consistent and reproducible manner. I will present our scheme for accomplishing these goals using Spack environments, bundle packages, and Github Actions-based CI.

Flumerfelt, Eric [Fermilab]↗
DOE OSTI2024

A section 110 evaluation of the huron king test chamber, area 3, nevada national security site, nye county, nevada

The U.S. Department of Energy, National Nuclear Security Administration Nevada Field Office tasked Desert Research Institute (DRI) with the identification and evaluation of the Huron King Test Chamber as part of their cultural resources program obligations under Section 110 of the National Historic Preservation Act. The Huron King nuclear test was a vertical line-of-sight weapons effects test that took place in Area 3 on June 24, 1980. Unique to this event was a specially designed aboveground test chamber that held a model defense communications satellite in a vacuum tank meant to replicate the space environment. Sponsored by the Defense Nuclear Agency, the purpose of the experiment was to understand the response of the satellite and its materials and equipment to an electromagnetic pulse and attendant radiation. Between July and August 2022, DRI conducted an archival review on the Huron King experiment and its associated test chamber. Subsequently, pedestrian fieldwork was undertaken at the Huron King Test Chamber by DRI on September 29, 2022. During fieldwork, the outside of the test chamber was documented using a Nevada State Historic Preservation Office Architectural Resource Assessment form. This effort included verifying the substructures that compose the test chamber as determined by the archival review, as well as obtaining a detailed photographic recordation of the exterior and assessing its current condition. Notably, the site where the Huron King test took place has been abandoned and almost entirely naturalized. All of the portable instrumentation trailers, communications and data cabling, and winch systems used to retract the test chamber following the detonation were removed after completion of the experiment in 1980. Only the subsidence crater and the test chamber remain as physical evidence of this experiment. Based on these findings, DRI recommends that the Huron King Test Chamber is eligible for listing in the National Register of Historic Places (NRHP) at the local level under Significance Criteria A and C and that it meets Criteria Consideration G for properties less than 50 years old.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Transverse Kinematic Imbalance in MicroBooNE's New nue CC0pi Measurements

Neutrino-nucleus cross section measurements require accurate modelling of neutrino interactions. Neutrino beams are not monoenergetic, and the energy of each interaction must instead be modelled using nuclear interaction assumptions. This introduces significant systematic uncertainty into cross section measurements. Effects such as Fermi motion, nuclear correlations, and final-state interactions (FSI) smear the underlying quasi-elastic scattering signal, making it difficult to disentangle genuine quasi-elastic kinematics from nuclear effects across the full range of interaction channels (QE, MEC, RES, DIS) probed in these measurements. Transverse Kinematic Imbalance (TKI) variables, such as $\delta p_T$ and $\delta \alpha_T$, probe this same phase space by exploiting the fact that the incoming neutrino has zero transverse momentum ($\vec{p}_T^{\,\nu} = 0$). Any measured transverse imbalance in the final state therefore arises from nuclear effects rather than from uncertainty in the incident neutrino energy, allowing cross section measurements to select a phase space that is rich in quasi-elastic-like events with minimal contamination from FSI and other nuclear effects, independent of energy reconstruction. Recent unfolded MicroBooNE cross section measurements of electron-neutrino charged-current interactions with zero pions and at least one proton ($\nu_e$ CC0$\pi$, 1eNp0$\pi$) show that several leading nuclear interaction generators (including GENIE variants, NuWro, GiBUU, and NEUT) reproduce the differential cross section in electron energy reasonably well, but consistently struggle to describe the differential cross section in the cosine of the leading proton's angle, yielding lower $p$-values across all seven generators tested. This tension points to a more fundamental, kinematics-driven disagreement between data and generators that is not visible in energy-only cross section observables. This is precisely the regime TKI variables are designed to probe. Following previous TKI cross section measurements with muon-neutrino data in MicroBooNE, this poster presents the case for extending the TKI framework to electron-neutrino cross section measurements as a next step to isolate and characterize the source of the observed generator tension in proton kinematics.

Burridge, Jessica [U. Manchester (main)] (ORCID:00↗
DOE OSTI2026

Flash Communication: Properties and Applications of a Pentavalent Bromoantimony Lewis Acid

While normally reluctant toward oxidation, SbBr 3 can be oxidized with 3,4,5,6-tetrachloro-1,2-benzoquinone (o-chloranil) in the presence of a Lewis base like the bromide anion or triphenylphosphine oxide (PPh 3 O) to form the tetrachlorocatecholate (cat Cl ) derivatives [SbBr 4 (cat Cl )] − ([2-Br] − ) and SbBr 3 (cat Cl )•OPPh 3 (2•OPPh 3 ), respectively. Structural, spectroscopic, and computational data indicate that the SbBr 3 (cat Cl ) fragment is similarly, if slightly less, Lewis acidic than the previously reported SbCl 3 (cat Cl ) fragment. The SbBr 3 /o-chloranil system, as well as its previously reported counterpart SbCl 3 /o-chloranil, were tested as Lewis acid catalysts for C−O bond metathesis and polycarbonate depolymerization. These results identified SbX 3 /o-chloranil pairs (X = Cl, Br) as simple main-group platforms for C−O bond cleavage chemistry.

Anions↗