Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “barrier method”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,027 records · Page 57

Opportunities for detailed fission studies using light charged particle reactions

Since its discovery in 1939, the nuclear fission process has provided much insight into the behavior of nuclei under many different conditions. As part of the nuclear chain reaction, the fission process has had a profound impact on modern society and it has consequently attracted much attention to the field of nuclear physics. In this talk, I will argue that the time is ripe for a resumption of studies of the fission process induced by light charged particle reactions. Although fission can be induced in heavy nuclei by several means, in some cases these methods suffer from the complication that fission can occur at several points during the decay chain thus mixing up contributions from different excitation energies. Using instead light charged particle reactions to excite the nuclei in question, the precise excitation energy from which fission takes place, can be determined. In fact, a number of such studies were carried out previously, and a first set of results on fission barrier heights, mass, energy and angular distributions were obtained. Applying detection techniques developed over the last decades will allow researchers to obtain detailed, high-quality data from which to probe and refine our present understanding of the process. Based on these observations, I suggest that substantial advances in the study of this process can be achieved by using simple light charged particle reactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Methane Partial Oxidation over Multifunctional 2-D Materials

The objective of this research is to design, synthesize, and evaluate highly selective, active, and stable multifunctional catalysts for the low temperature (< 500 Kelvin (K)) partial oxidation of methane to methanol (MTM) with molecular oxygen: CH 4 (g) + $\frac{1}{2}$O 2 (g) → CH 3 OH(g). Methane, the primary component of natural gas, is a source of energy and economic growth as well as an environmental concern. Recent developments in horizontal drilling and enhanced extraction methods have resulted in production of an estimated 62.4 trillion m 3 of ‘stranded’, or uneconomic, natural gas. Uneconomical natural gas is often flared or vented at remote oil production sites. Leaked, flared, and/or vented gas represents a "lost opportunity”, and this research project aims to maximize the value of the resource. Conventional catalysts for MTM suffer from low methanol selectivity since they exhibit ~0.55 eV higher barrier for C-H bond activation of methane compared to methanol. Without breaking these scaling relations, methanol oxidation is orders of magnitude faster than methane oxidation and it is very challenging to envision a process with economically viable single-pass yield. Here, we chose to investigate single-atom catalysts embedded and stabilized in two-dimensional materials such as graphene (GR) and "supported" on Group VIII and IB transition metals such as nickel. The electronic atomic monolayer-metal support interaction (EAMSI) present in these systems could promote methanol selectivity by breaking the scaling relations of the C-H bond activation of methane and methanol. A density functional theory (DFT) based computational study focused on predicting families of GR-based catalysts that could be active and selective for MTM. The catalyst systems predicted by the computational study were synthesized and evaluated for the gas phase MTM under relevant conditions. Unfortunately, the experimental activity and selectivity was lower than computationally predicted. The origin for the discrepancy is likely related to difficulties in synthesizing single atom catalysts in a threecomponent catalyst system at high density and with high selectivity. Future work in our groups is thus focused on reducing the system complexity to a two-component catalyst system. Finally, a techno-economic analysis (TEA) was also conducted to identify critical bottlenecks that inhibit future commercialization.

03 NATURAL GAS↗

Producing cultivated meat cuts that match traditional meat in quality and affordability (CRADA Final Report)

Novel Farms, Inc., as a participant of the Cyclotron Road Lab-Embedded Entrepreneurship Program, investigated the performance of various animal cell lines and animal cell media formulations using its proprietary scaffolds as a growth substratum towards the development of economically-feasible cultivated meat production. As an alternative to conventionally farmed animal meat, cultivated meat production has the potential to yield a marginal carbon footprint while providing sustainable and cruelty-free animal protein. The prohibitively high cost of the growth factors necessary in animal cell culture media constitutes the primary barrier that hinders the economically viable production of cultivated meat products. Furthermore, scaffolding is required to create structured meat products, but current options are unsuitable for cost-effective large-scale production of cultivated meat. Novel Farms has developed a proprietary technology to produce scaffolding that has the potential to reduce production costs while providing an ideal 3D surface for cell growth. Developing cost-efficient methods for cultivated meat production will be vital in satisfying the growing demand for animal protein while avoiding the deforestation, carbon emissions, biodiversity loss and other negative outcomes of industrial animal farming.

59 BASIC BIOLOGICAL SCIENCES↗

Controlling P–C/C–H Bond Cleavage in Nickel Bis(diphosphine) Complexes: Reactivity Scope, Mechanism, and Computations

The synthesis of heteroleptic [Ni(P 2 N 2 )(diphosphine)][BF 4 ] 2 complexes and the cleavage of P–C and C–H bonds of the P 2 N 2 ligand in those complexes are reported here. The products are five-coordinate complexes in which Ni–C and P–H bonds have formed to give a cyclic moiety containing Ni–CH$=$NR 2 . The reactivity of [Ni(P 2 N 2 )(diphosphine)][BF 4 ] 2 complexes is influenced by the rigidity of the diphosphine, the steric effect of the substituents, and length of the carbon linker of the diphosphine ligands. Diphosphine ligands bearing a rigid backbone (e.g., dmpbz, 1,2-bis(dimethylphosphino)benzene) or aromatic substituents (e.g., dppe, 1,2-bis(diphenylphosphino)ethane) react with [Ni(P t Bu 2 N Bn 2 )(CH 3 CN) 2 ][BF 4 ] 2 to give P–C/C–H bond cleavage products. Both [Ni(P t Bu 2 N Bn 2 )(dmpe)(MeCN)][BF 4 ] 2 and [Ni(P t Bu 2 N Bn 2 )(dmpm)(MeCN)][BF 4 ] 2 (dmpm = 1,2-bis(dimethylylphosphino)methane) were prepared by the reaction of [Ni(P t Bu 2 N Bn 2 )(CH 3 CN) 2 ][BF 4 ] 2 with the corresponding diphosphine ligands. [Ni(P t Bu 2 N Bn 2 )(dmpe)(MeCN)][BF 4 ] 2 readily undergoes P–C/C–H bond cleavage in nitromethane. In sharp contrast, [Ni(P t Bu 2 N Bn 2 )(dmpm)][BF 4 ] 2 is stabilized by dmpm, a diphosphine with small bite angle, and does not show P–C/C–H bond cleavage reactivity. Computational results show that for complexes bearing less bulky diphosphine ligands, such as dmpm, the barriers for the rate-determining transition states are in some examples higher than 30 kcal/mol with the M06 functional, higher than those for complexes bearing more rigid or more bulky ligands, consistent with experimental studies. The calculated barriers for the first transition state correlated with increased values of the dihedral angle formed by the two NiP 2 planes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improved lifetime of a high spin polarization superlattice photocathode

Negative Electron Affinity (NEA) activated surfaces are required to extract highly spin-polarized electron beams from GaAs-based photocathodes, but they suffer extreme sensitivity to poor vacuum conditions that results in rapid degradation of quantum efficiency. We report on a series of unconventional NEA activations on surfaces of bulk GaAs with Cs, Sb, and O 2 using different methods of oxygen exposure for optimizing photocathode performance. Additionally, one order of magnitude improvement in lifetime with respect to the standard Cs–O 2 activation is achieved without significant loss of electron spin polarization and quantum efficiency by codepositing Cs, Sb, and O 2 . A strained GaAs/GaAsP superlattice sample activated with the codeposition method demonstrated similar enhancement in lifetime near the photoemission threshold while maintaining 90% spin polarization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A magnetic‐directed micro‐particle with near‐ IR light triggered guest‐release property

Abstract In this study, guest carriers, composed of magnetic‐directed hydrogel particles with near‐infrared (NIR)‐light‐triggered guest‐release properties, are prepared via the one‐pot method. The gel particles contain photostable NIR‐responsive polypyrrole nanoparticles with temperature‐sensitive poly(N‐isopropyl acrylamide), the combination of which can induce the accelerated release of encapsulated drugs by 337% upon 5 minutes of NIR light irradiation based on the release profile of NRMG‐1 at 10–15 min. Additionally, with magnetic iron oxide particles crosslinking the polyvinyl alcohol frames, these gel particles can form a physical barrier that decreases the release rate by 20% under an external magnetic field over 24 h. The magnetic iron oxide particles also enable the gel particles to reach their target destination without extra drug losses.

60 APPLIED LIFE SCIENCES↗

Hydrogen Refueling Reference Station Lot Size Analysis for Urban Sites

Hydrogen Fueling Infrastructure Research and Station Technology (H2FIRST) is a project initiated by the DOE in 2015 and executed by Sandia National Laboratories and the National Renewable Energy Laboratory to address R&D barriers to the deployment of hydrogen fueling infrastructure. One key barrier to the deployment of fueling stations is the land area they require (i.e. "footprint"). Space is particularly a constraint in dense urban areas where hydrogen demand is high but space for fueling stations is limited. This work presents current fire code requirements that inform station footprint, then identifies and quantifies opportunities to reduce footprint without altering the safety profile of fueling stations. Opportunities analyzed include potential new methods of hydrogen delivery, as well as alternative placements of station technologies (i.e. rooftop/underground fuel storage). As interest in heavy-duty fueling stations and other markets for hydrogen grows, this study can inform techniques to reduce the footprint of heavy-duty stations as well. This work characterizes generic designs for stations with a capacity of 600 kg/day hydrogen dispensed and 4 dispenser hoses. Three base case designs (delivered gas, delivered liquid, and on-site electrolysis production) have been modified in 5 different ways to study the impacts of recently released fire code changes, colocation with gasoline refueling, alternate delivery assumptions, underground storage of hydrogen, and rooftop storage of hydrogen, resulting in a total of 32 different station designs. The footprints of the base case stations range from 13,000 to 21,000 ft 2 . A significant focus of this study is the NFPA 2 requirements, especially the prescribed setback distances for bulk gaseous or liquid hydrogen storage. While the prescribed distances are large in some cases, these setback distances are found to have a nuanced impact on station lot size; considerations of the delivery truck path, traffic flow, parking, and convenience store location are also important. Station designs that utilize underground and rooftop storage can reduce footprint but may not be practical or economical. For example, burying hydrogen storage tanks underground can reduce footprint, but the cost savings they enable depend on the cost of burial and the cost land. Siting and economic analysis of station lot sizes illustrate the benefit of smaller station footprints in the flexibility and cost savings they can provide. This study can be used as a reference that provides examples of the key design differences that fueling stations can incorporate, the approximate sizes of generic station lots, and considerations that might be unique to particular designs.

08 HYDROGEN↗

Subcomponent Validation of Composite Joints for the Marine Energy Advanced Materials Project

The Marine Energy Advanced Materials project is an ongoing multi-year, multi-lab project with the main goals of addressing barriers and uncertainties facing marine energy developers in adopting advanced materials for structural applications. NREL's goals of the project were to address subcomponents testing needs for marine energy materials, to improve understanding of design allowables at the full-scale and provide near net-scale static and fatigue data of composite subcomponents using materials applicable to the marine energy industry. In the long term, the test method development and data generated would be used to inform standards development. This report outlines perhaps one of the largest-scale studies conducted with regards to saltwater conditioning of various composite material subcomponents and their subsequent structural validation, specifically directed at the marine renewable energy industry. A variety of fiberglass composite panels with epoxy and vinyl ester epoxy resin systems were manufactured at Montana State University, which were then used to manufacture an array of different types of subcomponent test specimens at the National Renewable Energy Laboratory's Flatirons Campus. These subcomponents were in the form of T-bolt and double-ended-insert specimens, which were intended to represent bonded and mechanical bolted connections for thick composite laminates, metal-metal and composite lap shear specimens to evaluate adhesion of constituent materials, and adhesive beam-shear specimens as part of an effort to better evaluate the characteristics of thick adhesive bondlines. Overall, the materials used were fiberglass reinforced epoxy and vinyl ester matrix composites, epoxy and methacrylate adhesives, and 316 and 2507 stainless steels. Specimens were then conditioned in salt water at various temperatures and for various periods of time at Florida Atlantic University and Pacific Northwest National Laboratory. All specimens were then mechanically characterized and validated using various test methods under static and fatigue loading conditions at NREL's Structural Technology Laboratory. Throughout the conditioning and mechanical validation process, valuable experience was gained, which will help guide future test method development for marine energy materials. In many instances, the results indicated similar observations as to what had been observed during previous coupon scale characterization efforts that provided a vital understanding of the scale up process. However in some instances, unexpected phenomena were observed, such as interactions between the adhesives and 316 steel. Furthermore, some materials exhibited significant degradation due to the saltwater conditioning. Ultimately, this report provides a detailed summary of the specimens that were designed, the subcomponent test methods that were developed, and the results that were generated, which will serve as important guidance for marine renewable energy developers and researchers for future structural designs and validation.

16 TIDAL AND WAVE POWER↗

Clearing a Path to Commercialization of Marine Renewable Energy Technologies Through Public–Private Collaboration

Governments are increasingly turning toward public–private partnerships to bring industry support to improving public assets or services. Here, we describe a unique public–private collaboration where a government entity has developed mechanisms to support public and private sector advancement and commercialization of monitoring technologies for marine renewable energy. These support mechanisms include access to a range of skilled personnel and test facilities that promote rapid innovation, prove reliability, and inspire creativity in technology development as innovations move from concept to practice. The ability to iteratively test hardware and software components, sensors, and systems can accelerate adoption of new methods and instrumentation designs. As a case study, we present the development of passive acoustic monitoring technologies customized for operation in energetic waves and currents. We discuss the value of testing different systems together, under the same conditions, as well as the progression through different test locations. The outcome is multiple, complementary monitoring technologies that are well suited to addressing an area of high environmental uncertainty and reducing barriers to responsible deployment of low-carbon energy conversion systems, creating solutions for the future.

16 TIDAL AND WAVE POWER↗

NASA Tech Briefs, October 2010

Topics covered include: Hybrid Architecture Active Wavefront Sensing and Control; Carbon-Nanotube-Based Chemical Gas Sensor; Aerogel-Positronium Technology for the Detection of Small Quantities of Organic and/or Toxic Materials; Graphene-Based Reversible Nano-Switch/Sensor Schottky Diode; Inductive Non-Contact Position Sensor; High-Temperature Surface-Acoustic-Wave Transducer; Grid-Sphere Electrodes for Contact with Ionospheric Plasma; Enabling IP Header Compression in COTS Routers via Frame Relay on a Simplex Link; Ka-Band SiGe Receiver Front-End MMIC for Transponder Applications; Robust Optimization Design Algorithm for High-Frequency TWTs; Optimal and Local Connectivity Between Neuron and Synapse Array in the Quantum Dot/Silicon Brain; Method and Circuit for In-Situ Health Monitoring of Solar Cells in Space; BGen: A UML Behavior Network Generator Tool; Platform for Post-Processing Waveform-Based NDE; Electrochemical Hydrogen Peroxide Generator; Fabrication of Single, Vertically Aligned Carbon Nanotubes in 3D Nanoscale Architectures; Process to Create High-Fidelity Lunar Dust Simulants; Lithium-Ion Electrolytes Containing Phosphorous-Based, Flame-Retardant Additives; InGaP Heterojunction Barrier Solar Cells; Straight-Pore Microfilter with Efficient Regeneration; Determining Shear Stress Distribution in a Laminate; Self-Adjusting Liquid Injectors for Combustors; Handling Qualities Prediction of an F-16XL-Based Reduced Sonic Boom Aircraft; Tele-Robotic ATHLETE Controller for Kinematics - TRACK; Three-Wheel Brush-Wheel Sampler; Heterodyne Interferometer Angle Metrology; Aligning Astronomical Telescopes via Identification of Stars; Generation of Optical Combs in a WGM Resonator from a Bichromatic Pump; Large-Format AlGaN PIN Photodiode Arrays for UV Images; Fiber-Coupled Planar Light-Wave Circuit for Seed Laser Control in High Spectral Resolution Lidar Systems; On Calculating the Zero-Gravity Surface Figure of a Mirror; Optical Modification of Casimir Forces for Improved Function of Micro- and Nano-Scale Devices; Analysis, Simulation, and Verification of Knowledge-Based, Rule-Based, and Expert Systems; Core and Off-Core Processes in Systems Engineering; Digital Reconstruction Supporting Investigation of Mishaps; and Template Matching Approach to Signal Prediction.

Source record↗

Temperature Mapping of Air Film-Cooled Thermal Barrier Coated Surfaces Using Cr-Doped GdAlO3 Phosphor Thermography

It has been recently shown that the high luminescence intensity from a Cr-doped GdAlO3 (Cr:GdAlO3) thermographic phosphor enables non-rastered full-field temperature mapping of thermal barrier coating (TBC) surfaces to temperatures above 1000C. In this presentation, temperature mapping by Cr:GdAlO3 based phosphor thermometry of air film-cooled TBC-coated surfaces is demonstrated for both scaled-up cooling hole geometries as well as for actual components in a burner rig test environment. The effects of thermal background radiation and flame chemiluminescence on the measurements are investigated, and advantages of this method over infrared thermography as well as the limitations of this method for studying air film cooling are discussed.

thermographic phoshor↗

Autonomous experimentation systems for materials development: A community perspective

Solutions to many of the world's problems depend upon materials research and development. However, advanced materials can take decades to discover and decades more to fully deploy. Humans and robots have begun to partner to advance science and technology orders of magnitude faster than humans do today through the development and exploitation of closed-loop, autonomous experimentation systems. This review discusses the specific challenges and opportunities related to materials discovery and development that will emerge from this new paradigm. Our perspective incorporates input from stakeholders in academia, industry, government laboratories, and funding agencies. We outline the current status, barriers, and needed investments, culminating with a vision for the path forward. We intend the article to spark interest in this emerging research area and to motivate potential practitioners by illustrating early successes. We also aspire to encourage a creative reimagining of the next generation of materials science infrastructure. To this end, we frame future investments in materials science and technology, hardware and software infrastructure, artificial intelligence and autonomy methods, and critical workforce development for autonomous research.

36 MATERIALS SCIENCE↗

Theoretical characterization of the potential energy surface for H + N2 yields HN2. II - Computed points to define a global potential

A previous calculation for H + N2 (Walch et al., 1989) focused on the minimum energy path (MEP) region of the potential energy surface and on estimates of the lifetime of the HN2 species. In this paper, energies computed at geometries selected to permit a global representation of the potential energy surface (PES) are reported. As in the previous work, the calculations were performed using the complete active space self-consistent field/externally contracted configuration interaction method. The surface was characterized using the same basis set as in the previous paper except that an improved contraction of the H s-basis is used. Calculations with a larger basis set were carried out along an approximate MEP obtained with the smaller basis set. The new PES exhibits a sharp curvature, which was not present in the previous calculations, and has a slightly narrower and smaller barrier to dissociation. Saddle points for H atom exchange via collinear and T shaped HN2 complexes are also reported.

Walch, Stephen P.↗

Physics demonstration and verification of MOOSE framework reactor module meshing capabilities

The recently developed Reactor module in the open-source MOOSE framework includes finite element meshing capabilities for analysis of common reactor geometries. Capabilities in the Reactor module have been employed to generate meshes for physics applications including a sodium-cooled fast reactor core analysis using Griffin, a fast reactor assembly thermal deformation analysis using MOOSE Tensor Mechanics, and a heat-pipe cooled microreactor coupled analysis using Griffin, Bison, and Sockeye. The process to build these meshes using MOOSE's meshing capabilities is described. Physics simulation results using MOOSE-based meshes have been verified to match results which leverage external meshing software such as Cubit or Argonne's Mesh Tools. MOOSE's Reactor module provides significant advantages compared to the use of external meshing tools when analyzing Cartesian and hexagonal reactor lattices using MOOSE-based applications: accessibility to the end user, low barrier to entry for new users, speed of mesh generation, volume preservation of meshed fuel pins, and simplification of analysis workflow when using MOOSE applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The approximate second order coupled-cluster method based on a size-consistent Brillouin–Wigner partitioning

We present a variant of the approximate second order coupled-cluster method (CC2) with a two-parameter size-consistent Brillouin–Wigner (BW-s) partitioning instead of a Møller–Plesset (MP) partitioning for the unperturbed Hamiltonian, which we refer to as BWs-CC2. The computational complexity of this model scales identically to CC2 with molecular size. Conventional CC2 and its regularized BWs-CC2 variants, as well as conventional MP2 and two of its regularized BW-s2 variants, were assessed on a 535 element database spanning thermochemistry, non-covalent interactions, barrier heights, and isomerization energies. To ensure a well-defined model chemistry, the assessment was performed using internally stable spin-polarized Hartree–Fock (HF) orbitals in the finite aug-cc-pVQZ basis without counterpoise corrections. As a result of using stable orbitals, contrary to conventional wisdom, we find that CC2 substantially outperforms MP2 on molecules with significantly spin contaminated reference orbitals without a significant increase in error on systems with a spin-pure reference, showing the value of its single substitutions. While no single choice of regularization parameters can be optimal for all datasets, we find that BWs-CC2 generally outperforms both CC2 and BW-s2 with a single judicious parameter choice. Additional tests on dipole moments and bond lengths of diatomics provide further support for the utility of this choice. Furthermore, the main outliers and poorest performing cases are associated with large amounts of spin-contamination in the HF reference, which is indicative of systems with either strong correlation or extensive artificial symmetry breaking. Overall, these findings argue that the perception of the quality of the CC2 ground state should be reevaluated and that it can be further improved upon by the soundly based BWs-CC2 variant with the recommended parameter choice.

Correlation energy↗

Three-Dimensional Integration of Functional Oxides and Crystalline Silicon for Optical Neuromorphic Computing Using Nanometer-Scale Oxygen Scavenging Barriers

Dating to the first reports of epitaxial oxide deposition on Si(001), the integration of complex oxides on silicon has been a fast-moving area of research, where fundamental materials physics is intimately connected to tremendous technological promise in such areas as integrated electronics, optical neuromorphic and quantum computing, and sensing, to name a few. Despite their great promise, devices relying on the co-integration of silicon and epitaxial perovskites are typically limited to basic, planar geometries due to practical issues with their fabrication. In this paper, we overcome these long-standing challenges by developing a method to produce high-quality Si(001)/TMO/Si(001)/TMO heterostructures without wafer bonding, resulting in the straightforward three-dimensional integration of functional complex oxides and active Si(001) layers into a technologically relevant platform that is needed for on-chip hardware implementations of neuromorphic computing based on optical signals. We present detailed structural and chemical characterization of our heterostructures and discuss generalized design rules for their fabrication. Our results exponentially expand the universe of practically achievable TMO-based integrated devices and push this promising class of materials closer to realizing their full technological potential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Potential energy profile for the Cl + (H 2 O) 3 → HCl + (H 2 O) 2 OH reaction. A CCSD(T) study

Four different reaction pathways are initially located for the reaction of Cl atom plus water trimer Cl + (H 2 O) 3 → HCl + (H 2 O) 2 OH using a standard DFT method. As found for the analogous fluorine reaction, the geometrical and energetic results for the four chlorine pathways are closely related. However, the energetics for the Cl reaction are very different from those for fluorine. Here in this paper, we investigate the lowest-energy chlorine pathway using the “gold standard” CCSD(T) method in conjunction with correlation-consistent basis sets up to cc-pVQZ. Structurally, the stationary points for the water trimer reaction Cl + (H 2 O) 3 may be compared to those for the water monomer reaction Cl + H 2 O and water dimer reaction Cl + (H 2 O) 2 . Based on the CCSD(T) energies, the title reaction is endothermic by 19.3 kcal mol -1 , with a classical barrier height of 16.7 kcal mol -1 between the reactants and the exit complex. There is no barrier for the reverse reaction. The Cl … (H 2 O) 3 entrance complex lies 5.3 kcal mol -1 below the separated reactants. The HCl … (H 2 O) 2 OH exit complex is bound by 8.6 kcal mol -1 relative to the separated products. The Cl + (H 2 O) 3 reaction is somewhat similar to the analogous Cl + (H 2 O) 2 reaction, but qualitatively different from the Cl + H 2 O reaction. It is reasonable to expect that the reactions between the chlorine atom and larger water clusters may be similar to the Cl + (H 2 O) 3 reaction. The potential energy profile for the Cl + (H 2 O) 3 reaction is radically different from that for the valence isoelectronic F + (H 2 O) 3 system, which may be related to the different bond energies between HCl and HF.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ultrafast Spectroscopy and Dynamics of Photoredox Catalysis

Photoredox catalysis has emerged as a powerful platform for chemical synthesis, utilizing chromophore excited states as selective energy stores to surmount chemical activation barriers toward making desirable products. Developments in this field have pushed synthetic chemists to design and discover new photocatalysts with novel and impactful photoreactivity but also with uncharacterized excited states and only an approximate mechanistic understanding. This review highlights specific instances in which ultrafast spectroscopies dissected the photophysical and photochemical dynamics of new classes of photoredox catalysts and their photochemical reactions. After briefly introducing the photophysical processes and ultrafast spectroscopic methods central to this topic, the review describes selected recent examples that evoke distinct classes of photoredox catalysts with demonstrated synthetic utility and ultrafast spectroscopic characterization. Furthermore, this review cements the significant role of ultrafast spectroscopy in modern photocatalyzed organic transformations and institutionalizes the developing intersection of synthetic organic chemistry and physical chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗