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NASA NTRS2016

Performance Analysis of a Hardware Implemented Complex Signal Kurtosis Radio-Frequency Interference Detector

Radio-frequency interference (RFI) is a known problem for passive remote sensing as evidenced in the L-band radiometers SMOS, Aquarius and more recently, SMAP. Various algorithms have been developed and implemented on SMAP to improve science measurements. This was achieved by the use of a digital microwave radiometer. RFI mitigation becomes more challenging for microwave radiometers operating at higher frequencies in shared allocations. At higher frequencies larger bandwidths are also desirable for lower measurement noise further adding to processing challenges. This work focuses on finding improved RFI mitigation techniques that will be effective at additional frequencies and at higher bandwidths. To aid the development and testing of applicable detection and mitigation techniques, a wide-band RFI algorithm testing environment has been developed using the Reconfigurable Open Architecture Computing Hardware System (ROACH) built by the Collaboration for Astronomy Signal Processing and Electronics Research (CASPER) Group. The testing environment also consists of various test equipment used to reproduce typical signals that a radiometer may see including those with and without RFI. The testing environment permits quick evaluations of RFI mitigation algorithms as well as show that they are implementable in hardware. The algorithm implemented is a complex signal kurtosis detector which was modeled and simulated. The complex signal kurtosis detector showed improved performance over the real kurtosis detector under certain conditions. The real kurtosis is implemented on SMAP at 24 MHz bandwidth. The complex signal kurtosis algorithm was then implemented in hardware at 200 MHz bandwidth using the ROACH. In this work, performance of the complex signal kurtosis and the real signal kurtosis are compared. Performance evaluations and comparisons in both simulation as well as experimental hardware implementations were done with the use of receiver operating characteristic (ROC) curves. The complex kurtosis algorithm has the potential to reduce data rate due to onboard processing in addition to improving RFI detection performance.

microwaves↗

NASA NTRS2019

A Limited Habitable Zone for Complex Life

The habitable zone (HZ) is commonly defined as the range of distances from a host star within which liquid water, a key requirement for life, may exist on a planet's surface. Substantially more CO2 than present in Earth's modern atmosphere is required to maintain clement temperatures for most of the HZ, with several bars required at the outer edge. However, most complex aerobic life on Earth is limited by CO2 concentrations of just fractions of a bar. At the same time, most exoplanets in the traditional HZ reside in proximity to M dwarfs, which are more numerous than Sun-like G dwarfs but are predicted to promote greater abundances of gases that can be toxic in the atmospheres of orbiting planets, such as carbon monoxide (CO). Here we show that the HZ for complex aerobic life is likely limited relative to that for microbial life. We use a 1D radiative-convective climate and photochemical models to circumscribe a Habitable Zone for Complex Life (HZCL) based on known toxicity limits for a range of organisms as a proof of concept. We find that for CO2 tolerances of 0.01, 0.1, and 1 bar, the HZCL is only 21%, 32%, and 50% as wide as the conventional HZ for a Sun-like star, and that CO concentrations may limit some complex life throughout the entire HZ of the coolest M dwarfs. These results cast new light on the likely distribution of complex life in the universe and have important ramifications for the search for exoplanet biosignatures and technosignatures.

Schwieterman, Edward W.↗

NASA NTRS2020

Analyzing Changes in the Complexity of Climate in the Last Four Decades Using MERRA-2 Radiation Data

The energy balance of the Earth is controlled by the shortwave and longwave radiation emitted to space. Changes in the thermodynamic state of the system over time afect climate and are noticeable when viewing the system as a whole. In this paper, we study the changes in the complexity of climate in the last four decades using data from the Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2). First, we study the complexity of the shortwave and longwave radiation felds independently using Approximate Entropy and Sample Entropy, observing that the rate of complexity change is faster for shortwave radiation. Then, we study the causality of those changes using Transfer Entropy to capture the non-linear dynamics of climate, showing that the changes are mainly driven by the variations in shortwave radiation. The observed behavior of climatic complexity could be explained by the changes in cloud amount, and we research that possibility by investigating its evolution from a complexity perspective using data from the International Satellite Cloud Climatology Project (ISCCP).

Delgado-Bonal, Alfonso↗

NASA NTRS2021

Human Performance of Novice Schedulers for Complex Spaceflight Operations Timelines

Objective: Investigate the effects on human performance as a function of scheduling task complexity for novice schedulers creating spaceflight timelines. Background: Future astronauts will be expected to self-schedule, yet will not be experts in creating timelines that meet complex constraints inherent to spaceflight operations. Method: Conducted a within-subject experiment to measure scheduling efficiency, effectiveness, workload and situation awareness while varying scheduling task complexity factors, namely number of constraints and types of constraints. Results: Fifteen participants completed various scheduling problems. Performance differences were identified between the independent variables. There was a main effect due to the number of constraints and type of constraint for efficiency, effectiveness, and workload. Significant interactions were observed in situation awareness and workload for certain types of constraints. Results also suggest that a lower number of constraints may be manageable by novice schedulers when compared to scheduling activities without constraints. Conclusion: Results suggest that novice schedulers performance decreases with high number of constraints and future scheduling aids may have to be targeted to type of constraint. Application: Knowledge on the effect of scheduling task complexity will help design scheduling systems that will enable self-scheduling for future astronauts. It will also inform other domains that conduct complex scheduling, such as nursing and manufacturing.

scheduling↗

NASA NTRS2022

On the Importance of Investigating CME Complexity Evolution During Interplanetary Propagation

This perspective paper brings to light the need for comprehensive studies on the evolution of interplanetary coronal mass ejection (ICME) complexity during propagation. To date, few studies of ICME complexity exist. Here, we define ICME complexity and associated changes in complexity, describe recent works and their limitations, and outline key science questions that need to be tackled. Fundamental research on ICME complexity changes from the solar corona to 1 AU and beyond is critical to our physical understanding of the evolution and interaction of transients in the inner heliosphere. Furthermore, a comprehensive understanding of such changes is required to understand the space weather impact of ICMEs at different heliospheric locations and to improve on predictive space weather models.

CME↗

NASA NTRSDate not supplied

From Research to Reality -- Challenges and Opportunities in Complex System Design

The scope and scale of our interconnected society requires that we view the world through a complex system lens, where numerous parts interact, and emergent behaviors are the norm. Understanding complex systems is critical for decision-making and policy development in domains such as ecological systems, financial markets, supply chains, and global transportation systems, where decision-makers need reliable information to predict the impact of decisions that may play out over decades. Traditional approaches to the research that produces this information are often insufficient, where hypotheses are tested in an isolated environment, and where the results may not carry over to the integrated system. There are a multitude of advancements in system engineering, artificial intelligence, and test and evaluation that are emerging to meet the challenge. Approaches such as agile development, model-based system engineering, design of experiments, large language models, and formal ontologies are providing ways to manage complexity and increase our collective ability to make the changes that we want to see in the world. In this talk I will provide a few examples related to the architecture of the National Airspace System (NAS), where we have investigated the use of large language models, basic formal ontology, and applied category theory to help researchers and system engineers be more effective in this complex design space. Bio: Dr. Ian Levitt’s current research focus is on the complex evolution of the National Airspace System. Prior to joining NASA in 2020, he was with the FAA leading international standards and national laboratory development for the agency. Dr. Levitt earned his PhD in mathematics from Rutgers University in 2009. His mission is to promote a healthy and continuous transformation of society through open information and cooperation.

Ian Levitt↗

DOE OSTI2024

Impacts of Neodymium Complexation on Radiolysis of Tetramethyl Diglycolamide (TMDGA) in Aqueous Solutions

Hydrophilic diglycolamides (DGA) ligands have been explored for use as stripping agents in various lanthanide and actinide partitioning processes.1 The separation of lanthanide fission products and transplutonic actinides can serve multifaceted advantages, in that the separation of neutron poisoning rare earth element (REE) fission products from the minor actinides in used nuclear fuel (UNF) can be mutually beneficial to the fundamental research behind REE separations and UNF separations. Considerable efforts have been devoted to understanding the radiation chemistry of hydrophilic DGAs. However, recent studies with lipophilic DGAs have shown that metal ion complexation can promote significant changes in their radiolytic susceptibility.2,3 These effects have been attributed to various parameters, including delocalization of electron density, the presence of radiolytically more susceptible counter ions, and steric hindrance. As such, it is pivotal for these complexation effects to be more thoroughly probed to establish mechanistic knowledge for their effects on hydrophilic DGA molecules. Here we present a time-resolved electron pulse and accumulated gamma dose irradiation study on neodymium ion complexes of tetramethyl diglycolamide (TMDGA) under aqueous solution conditions. References (1) Rostaing, C.; Poinssot, C.; Warin, D.; Baron, P.; Lorrain, B. Development and Validation of the EXAm Separation Process for Single Am Recycling. Procedia Chem. 2012, 7, 367–373. https://doi.org/doi: 10.1016/j.proche.2012.10.057. (2) Horne, G. P.; Conrad, J. K.; McLachlan, J. R.; Rotermund, B. M.; Cook, A. R.; Celis-Barros, C.; Mezyk, S. P. Impact of Lanthanide Complexation and Temperature on the Chemical Reactivity of N,N,N’,N’-Tetraoctyl Diglycolamide (TODGA) with the Dodecane Radical Cation. Phys. Chem. Chem. Phys. 2023, Under Review. (3) Kimberlin, A.; Saint-Louis, G.; Guillaumont, D.; Camès, B.; Guilbaud, P.; Berthon, L. Effect of Metal Complexation on Diglycolamide Radiolysis: A Comparison between Ex Situ Gamma and in Situ Alpha Irradiation. Phys. Chem. Chem. Phys. PCCP 2022, 24 (16), 9213–9228. https://doi.org/10.1039/d1cp05731f.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2024

Tailoring Molecular Space to Navigate Phase Complexity in Cs-Based Quasi-2D Perovskites via Gated-Gaussian-Driven High-Throughput Discovery

Cesium-based quasi-2D halide perovskites (HPs) offer promising functionalities and low-temperature manufacturability, suited to stable tandem photovoltaics. However, the chemical interplays between the molecular spacers and the inorganic building blocks during crystallization cause substantial phase complexities in the resulting matrices. To successfully optimize and implement the quasi-2D HP functionalities, a systematic understanding of spacer chemistry, along with the seamless navigation of the inherently discrete molecular space, is necessary. Herein, by utilizing high-throughput automated experimentation, the phase complexities in the molecular space of quasi-2D HPs are explored, thus identifying the chemical roles of the spacer cations on the synthesis and functionalities of the complex materials. Furthermore, a novel active machine learning algorithm leveraging a two-stage decision-making process, called gated Gaussian process Bayesian optimization is introduced, to navigate the discrete ternary chemical space defined with two distinctive spacer molecules. Through simultaneous optimization of photoluminescence intensity and stability that “tailors” the chemistry in the molecular space, a ternary-compositional quasi-2D HP film realizing excellent optoelectronic functionalities is demonstrated. Finally, this work not only provides a pathway for the rational and bespoke design of complex HP materials but also sets the stage for accelerated materials discovery in other multifunctional systems.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Restructuring of Benzimidazole-Based Copper Complexes during Electrochemical CO 2 Reduction

Copper-based molecular catalysts have been widely used for the electrochemical reduction of carbon dioxide (ERCO 2 ). However, establishing a correlation between structure and catalytic performance has been challenging due to the dynamic nature of these materials under ERCO 2 working conditions. Here, we report on the restructuring of the copper complexes [Cu(bzimpy)Cl 2 ] and [Cu(pyrben) 2 (NO 3 )]NO 3 during ERCO 2 in an acidic medium, evidencing its effects on the observed activity, selectivity, and stability. In situ X-ray absorption spectroscopy (XAS) suggested that, at sufficiently negative potentials, the Cu 2+ centers of both complexes are reduced to undercoordinated Cu 0 species. Pb underpotential deposition of post-ERCO 2 samples indicated that such Cu 0 species also present a dominant contribution of the (100) domain, which is in line with the high Faradaic efficiency toward C 2 products (∼45%) shown by both complexes at −1.24 V vs RHE. By combining online electrochemical mass spectrometry, in situ XAS, electron paramagnetic resonance (EPR), and quantitative product analysis, we found that [Cu(bzimpy)Cl 2 ] exhibits a partially reversible restructuring, regenerating the main complex moiety, [Cu(bzimpy)] 2+ , and its geometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Olefin Coupling Catalyzed by (Pybox)Os Complexes via Osmacyclopentane Intermediates: Comparison with Isoelectronic (Phebox)Ir

(Pybox)Os is found to catalyze alkene hydrovinylation, effecting the dimerization of ethylene, tail-to-tail coupling of propene and 1-butene, and cross-coupling of ethylene with higher α-olefins. This reactivity contrasts with the previously reported dehydrogenative coupling of ethylene to give butadiene catalyzed by the isoelectronic fragment (Phebox)Ir. The reaction mechanism was investigated through computational and experimental means. Both the Os- and Ir-catalyzed reactions proceed through a [2 + 2 + 1] cyclization of the corresponding bis-olefin complex to yield an experimentally observed metallacyclopentane intermediate. In both cases, the metallacyclopentane undergoes β- H elimination, via a dechelated κ 2 -pincer-ligated intermediate, to yield a σ−π-but-3-enyl hydride complex or derivative. Both the greater reactivity and the distinct chemoselectivity of the Os system relative to the Ir system are attributable to C−H reductive elimination by the σ−π-but-3-enyl hydride having a barrier for Os much lower than that for Ir. This lower barrier to C−H elimination for Os is unexpected given that the thermodynamic driving force for elimination is much less for Os than for Ir. Computational studies of model complexes were conducted, comparing (Pybox)Os(L)(CH 3 )(H) with the isoelectronic (Phebox)Ir(L)(CH 3 )(H). The results indicate that the more facile kinetics with Os relative to Ir may be general for C−H elimination from six-coordinate d 6 complexes of the two metals, as well as for the microscopic reverse, i.e., C−H addition to the corresponding four-coordinate d 8 species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Highly-destabilized ligand field excited states of iron carbene complexes and their relation to charge transfer state lifetimes

Lifetimes of photoexcited charge transfer (CT) states in transition metal chromophores are influenced by low-lying ligand field (LF) excited states, especially for 3d metal complexes. To manipulate interactions between LF and CT states, it is important to be able to control LF excited state energies using tunable synthetic variables. In this report, we use Fe 2p3d L 3 -edge resonant inelastic X-ray scattering (RIXS) to measure LF excited state energies of three homoleptic iron chromophores coordinated by strong-field N-heterocyclic carbenes (NHCs). We investigate the effect of oxidation state and ligand scaffold on LF energies and covalency parameters. A cyclometalated bis(NHC) ligand affords both high LF excited state energies (and thus high 10 Dq) as well as high metal–ligand covalency compared to other iron complexes with very strong-field ligands. However, for the set of complexes investigated, we do not observe meaningful correlation between the LF excited state energies and the CT excited state lifetimes. These results illustrate that targeting long-lived CT excited states necessitates control of multiple molecular excited state properties, with destabilization of the LF excited state energies proving necessary, but insufficient, to control the CT excited state lifetime in Fe carbene complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRSDate not supplied

Effects of Simulated Microgravity and LINC-Complex on Chromosome 8 of Human Mammary Cells

Previously, human breast epithelial cells were studied under simulated microgravity to determine the role of the LINC-complex in maintaining nuclear morphology and gene expression. Data from that study was used in this project to understand how the LINC-complex influences gene expression at chromosome 8 under simulated microgravity. Differentially expressed genes found in clusters typically indicate a molecular relationship amongst them. Visual and data analyses (GO, pathways) identified 51 genes within clusters on chromosome 8 across various simulated microgravity conditions that did not share any molecular relationship. Additional results also determined that cells with a disrupted LINC-complex experienced more differential gene expression than the control, and that extended periods of simulated microgravity exacerbated differential gene expression in chromosome 8 of LINC-disrupted cells. These results suggest that the stressful simulated microgravity environment coupled with disrupted biological processes, such as in the case of the LINC-complex, can increase differential gene expression in chromosomes. Future studies where additional analyses are performed to further analyze gene expression of clusters under simulated microgravity could potentially elucidate the molecular relationship amongst affected genes.

Simulated microgravity↗

NASA NTRSDate not supplied

The System Complexity Metric (SCM) Explains Systems Design and is Correlated with Cost and Failure Rate

The human short term memory span and working capacity is limited to three to five items, especially if they are organized complex “chunks” of information. The impression of complexity occurs when a system is simply difficult to understand, where there is no apparent pattern to predict its behavior. Hierarchical systems design can reduce perceived complexity and increase the amount of information that can be managed. The SCM was developed to measure complexity and help compare proposed overall system architectures before detailed design information is available. The SCM is defined as the sum of the number of major nodes, N, in the system block diagram plus the number of one-way interactions, I, between the nodes. SCM = N + I. SCM’s are easily determined by direct inspection of high-level block diagrams of life support systems. Axiomatic design develops a hierarchy of subsystem requirements and designs together in a top-down, back-and-forth process. A coupling matrix is used to control the relationships between the subsystem functions and design concepts. Axiomatic design can improve system design by decoupling requirements and designs. Axiomatic design was applied to the planning of a closed life support system, similar to that used on the International Space Station. A materially open as opposed to a closed system design was created by removing the interconnections required to close the system. The open system had the same number of designed subsystems as the closed system, but it had many fewer interconnections and its SCM was lower by about half. The costs were estimated and the MTBF (Mean Time Before Failure) tabulated for open and closed space life support systems. The estimated costs were linearly proportional to SCM for the wide variations of SCM in life support, but small differences may not be significant. The flight and preflight MTBF’s both declined exponentially with increasing MTBF, faster than MTBF-2, even though the preflight estimated MTBF’s were about ten times higher than the flight MTBF’s.

System Complexity Metric (SCM)↗

DOE OSTI2025

Computer Vision Pipeline for Image Analysis for Freeze‐Fracture Electron Microscopy: Rosette Cellulose Synthase Complexes Case

In materials science, plant biology, agriculture, and environmental research, the automated analysis of high-magnification, complex microscopy images, such as those generated by freeze-fracture electron microscopy (FF-TEM), remains a critical challenge that limits the scalability of data interpretation. We present a deep learning computer vision pipeline for high-throughput detection and morphological characterization analysis of cellulose synthase complexes (CSCs, or rosettes) in FF-TEM images. The pipeline integrates preprocessing, detection, human-in-the-loop verification, and semantic segmentation to quantify features such as rosette diameter and inter-lobe spacing. The approach was trained and tested on a curated dataset of high-resolution FF-TEM micrographs of Physcomitrium patens, expanded via strategic tiling and augmentation to over 650 images. We compare YOLOv8 and YOLOv9 architectures and demonstrate that YOLOv9 achieves superior performance in both localization accuracy (mAP50-95 = 0.854) and inference speed. The resulting distributions revealed biological variability consistent with prior manual studies, validating the approach for high-throughput applications. Our results show that the pipeline achieves human-expert level accuracy while dramatically reducing analysis time, enabling scalable, reproducible structural characterization of intramembrane protein complexes. The pipeline is broadly applicable to other domains requiring precise interpretation of complex microscopy data and establishes a foundation for future artificial intelligence (AI)-assisted workflows in biological imaging.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Syntheses of Tungsten Imido Cyclohexylidene Complexes Using Perfluoro‐ t ‐Butanol or Hexafluoro‐ t ‐Butanol as Acids

Abstract The fluorinated alcohols, (CF 3 ) 3 COH (R F9 OH) and (CF 3 ) 2 MeCOH (R F6 OH), react with W(NR) 2 Cy 2 (Cy=Cyclohexyl; R=2,6‐diisopropylphenyl or 1‐adamantyl) in C 6 D 6 at 55 °C to give cyclohexylidene complexes. Traditional routes to terminal alkylidene complexes (neopentylidene or neophylidene) have used either triflic acid or HCl (rarely), but relatively weak fluorinated acids are sufficient and active bisalkoxide catalysts are therefore prepared directly. An α hydrogen abstraction reaction to give a cyclohexylidene complex from a biscyclohexyl complex appears to be as facile as α hydrogen abstraction to give a neopentylidene or neophylidene ligand, but isomerization of a cyclohexene formed through β hydrogen abstraction is also a possibility. The OR F9 ligands can be replaced readily with dimethylpyrrolide (Me 2 Pyr) or other more basic alkoxides. Single crystal X‐ray studies were carried out on W(NAr) 2 Cy 2 , W(NAr)(OR F9 ) 2 (C 6 H 10 )(ArNH 2 ), W(NAr)(OR F6 ) 2 (C 6 H 10 )(ArNH 2 ), W(NAd)(OR F9 ) 2 (C 6 H 10 )(AdNH 2 ), W(NAr)(O‐ i ‐Pr F6 ) 3 Cy, and W(NAd)(η 1 ‐Me 2 Pyr) 2 (C 6 H 10 ) (C 6 H 10 =cyclohexylidene).

Maji, Milan↗

DOE OSTI2025

Spin‐State and Clustering Effects in Fe‐Complex Negolytes for Near‐Neutral Aqueous Redox Flow Batteries

Cost-effective redox-active materials are essential for advancing redox flow batteries (RFBs). Iron, with its abundance and suitability as a redox couple, is a promising candidate; however, achieving stable and fast redox reactions in aqueous RFBs remains a challenge. Here, this study presents an Fe-based negolyte stabilized by a hexadentate ligand, where Fe–ligand bonds are enhanced through intermolecular interactions. The sulfonate-substituted Fe complex exhibits a formal potential of −0.44 V versus Ag/AgCl and an exceptionally high rate constant of 0.69 cm s −1 . Near-neutral RFBs incorporating 0.5 M Fe complex show excellent cycling stability, with no discernible capacity fading over 300 cycles. This performance is attributed to intermolecular hydrogen bonds that reinforce Fe–ligand coordination and promote the formation of stable trimeric clusters. Operando electrochemical Raman spectroscopy and density functional theory reveal that π-backdonation from Fe(II) to the imino-phenolate moiety further stabilizes the complex after reduction. In contrast, the hydroxyl-substituted complex exhibits inferior stability due to weaker hydrogen bonding and less pronounced π-backdonation. These findings underscore the importance of ligand design and intermolecular interactions in developing cost-effective, high-performance redox-active materials for aqueous RFBs.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Trigonal Planar Bis (carbene)Cu(I) Complexes Enable Divergent H 2 Activation with H 2 O for Accelerated Olefin Hydrogenation

CuH-catalyzed olefin hydrogenation is rare compared to those of carbonyl-derived substrates. Olefin insertion into Cu–H to form Cu-alkyl is ubiquitous; however, subsequent H 2 activation remains unknown to our knowledge. Herein, we investigated the transformations of β-H elimination, H 2 cleavage, and catalytic olefin hydrogenation in a series of linear and trigonal planar Cu(I)-alkyl complexes supported by monodentate N-heterocyclic carbene and bidentate naphthyridine- bis (carbene) ligands, respectively. Contrary to unreactive linear species, trigonal planar variants promote β-H elimination, hydrogenolysis, and catalytic hydrogenation of unactivated alkenes at mild temperatures and H 2 pressure. The rare isolation of a naphthyridine- bis (carbene)CuH monomer further affirms two predominant competing pathways for H 2 cleavage of metal–ligand cooperativity at Cu(I)-alkyl or internal electrophilic substitution at Cu(I)-OH. Employing either isolated or in situ generated Cu(I)-OH complex, via protonolysis of alkyl precatalyst by adventitious water, significantly accelerated catalysis compared to that operating primarily by the metal–ligand cooperativity pathway. DFT calculations and energy decomposition analysis on the disparate β-H elimination reactivity between linear and trigonal planar tert-butyl complexes and the mechanism of H 2 activation at a hydroxide complex, indicate that coordination geometry at Cu(I) and properties of the naphthyridine- bis (carbene) ligand are integral to the transformations reported here.

ALMO-EDA↗

DOE OSTI2025

Redox‐Dependent Luminescence in a Pentavalent Uranyl Complex

The chemistry of pentavalent uranyl is of high interest due to the ion's central role as an intermediate in nuclear separations. However, due to the instability of [UO 2 ] + , little is known about its electronic structure. The synthesis and characterization of a pentavalent uranyl complex supported by a pyridine dipyrrolide pincer‐type ligand are reported. The pentavalent species is isolated following reduction of the hexavalent uranyl congener, allowing for direct comparisons to be made between the two species. The [UO 2 ] 2+ analog is nonemissive, but upon reduction, luminescence is “switched on” in the pentavalent uranyl complex, affording emission from a high‐energy state. Quantum chemical calculations support the experimental findings and help provide insight into the electronic structure of the excited states of the reduced complex. This work provides a unique example of ligand‐based non‐Kasha emission from a molecular pentavalent uranyl complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗