Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “triplet”

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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

In Crystallo Synthesis of a Triplet Silver Nitrene

Reactive silver nitrenes are proposed intermediates in Ag-catalyzed C–H amination and olefin aziridination reactions. Synthesis and characterization of reactive Ag nitrenes has proven elusive due to fleeting lifetimes and argentophilic aggregation of Ag(I) precursors in solution. Here, we report the templated in crystallo synthesis and characterization of a mononuclear Ag nitrene supported by a tris(pyrazolyl)borate ligand. Photolytic N 2 elimination from the corresponding aryl azide complex yields a structurally defined Ag nitrene with a triplet ground state, as confirmed by crystallography, magnetic measurements, and quantum chemical calculations. This species displays both stoichiometric and catalytic nitrene transfer reactivity, enabling carbazole and indole formation from organic azides. These results leverage in crystallo templating to isolate a mononuclear triplet nitrene of Ag and provide a platform to experimentally elucidate ligand-controlled selectivity in Ag-catalyzed nitrene transfer catalysis.

Azides↗
NASA NTRS1971

On the He(plus) triplet line intensities

The theoretical calculations of helium triplet line strengths, including collisional enhancement, are compared to astronomical observations. Both are plotted on an I(10830)/I(5876) vs I(5876)/I(4471) plane. It appears that the theory of helium triplet line strengths agrees with present observations, and that the question of an additional depopulation mechanism for the 2 3S population is probably predicted correctly within 30%.

Daltabuit, E.↗
NASA NTRS1972

On the He/plus/ triplet line intensities.

Check of the adequacy of theoretical calculations of helium-triplet line strengths, including collisional enhancement, by comparing theoretical prediction with astronomical observations. It is shown that the observations of Peimbert and Torres-Peimbert (1971) and of Peimbert and Costero (1969) fit the theoretical predictions rather well, placing planetary nebulae and H II regions in separate density and temperature ranges. It appears that the theory of helium-triplet line strengths agrees with present observations.

Daltabuit, E.↗
NASA NTRS1978

A theoretical and observational analysis of He I triplet lines in class 1 Seyfert galaxy spectra

The equations of statistical equilibrium are solved for 11 levels of the helium atom that are most relevant to the production and radiative transfer of He I triplet lines. Solutions are obtained for several densities and temperatures over a run of optical depth in the 10,830-A line, and the results for emission-line strengths are plotted. Spectrophotometric scans and pertinent line strengths are presented for the class 1 Seyfert galaxies 3C 120, NGC 7469, and Mrk 618, as well as for Mrk 335, which exhibits a 'more normal' He I 5876/H-beta ratio. A comparison of the theoretically determined line intensities with the observational results verifies that the He I triplet line intensities are significantly enhanced by electron collisional excitation from 2(3)P and 2(3)S. It is suggested that the gas which gives rise to the broad He I lines in 3C 120, Mrk 618, and NGC 7469 is characterized by a number density of about 5 billion per cu cm, a temperature of approximately 15,000 K, and an optical depth of 100 to 120 in the 10,830-A line.

Feldman, F. R.↗
NASA NTRS1984

Physical conditions in the cool parts of prominences. II - The Mg triplet lines

The statistical equilibrium of Mg under prominence conditions is considered. It is shown that the principal lines of the triplet system can serve as an equivalent to the Na D lines for spectral diagnostic purposes. Like the Na D lines, these Mg lines are relatively easy to measure in prominences and exhibit small optical depths. It is demonstrated that potential complications due to possible radiative transfer effects in the Mg resonance transition (3 1S0 - 3 1P1) have little consequence for the triplet populations. The results are used to repeat the spectral analysis of Landman (1983) using the Mg multiplets in place of the Na ones. The results of the two analyses are in general agreement. The finding of a low degree of H ionization in the cool prominence regions and a correspondingly high gas pressure is confirmed.

Landman, D. A.↗
NASA NTRS1993

Observations of the Ca II infrared triplet in chromospherically active single and binary stars

Spectroscopic observations of the Ca II infrared triplet (8498, 8542, 8662 A) have been obtained for 45 stars which are known or suspected to be chromospherically active. The sample includes both single and binary stars of spectral types from F2 to M5 spanning luminosity classes III, IV, and V. Several different types of activity diagnostics were measured, and their relative merits are discussed. Dependence of chromospheric emission upon rotation period, luminosity, temperature, and duplicity are analyzed. Synchronous binaries show a slight trend of increased emission with decreasing period while the asynchronous binaries show abnormally high activity levels for their rotation periods. Several stars exhibit rotationally modulated emission which is anticorrelated with the stellar brightness. Finally, estimates of chromospheric energy losses are presented with the result that the total loss in the infrared triplet is about twice that of the H and K lines.

Dempsey, Robert C.↗
NASA NTRS1995

DNA CTG triplet repeats involved in dynamic mutations of neurologically related gene sequences form stable duplexes

DNA triplet repeats, 5'-d(CTG)n and 5'-d(CAG)n, are present in genes which have been implicated in several neurodegenerative disorders. To investigate possible stable structures formed by these repeating sequences, we have examined d(CTG)n, d(CAG)n and d(CTG).d(CAG)n (n = 2 and 3) using NMR and UV optical spectroscopy. These studies reveal that single stranded (CTG)n (n > 2) forms stable, antiparallel helical duplexes, while the single stranded (CAG)n requires at least three repeating units to form a duplex. NMR and UV melting experiments show that the Tm increases in the order of [(CAG)3]2 < [(CTG)3]2 << (CAG)3.(CTG)3. The (CTG)3 duplex is stable and exhibits similar NMR spectra in solutions containing 0.1-4 M NaCl and at a pH range from 4.6 to 8.8. The (CTG)3 duplex, which contains multiple-T.T mismatches, displays many NMR spectral characteristics similar to those of B-form DNA. However, unique NOE and 1H-31P coupling patterns associated with the repetitive T.T mismatches in the CTG repeats are discerned. These results, in conjunction with recent in vitro studies suggest that longer CTG repeats may form hairpin structures, which can potentially cause interruption in replication, leading to dynamic expansion or deletion of triplet repeats.

NASA Discipline Exobiology↗
NASA NTRS2006

A Search for X-ray Emission in Isolated Compact Triplets

We describe preliminary results of an exploratory search for diffuse X-ray emission in a sample of the poorest galaxy groups, i.e., isolated compact triplets of galaxies. These systems represent the simplest forms of galaxy clustering while manifesting all the complexities inherent in other groups. We have selected 20 compact triplets for this initial study. The component galaxies are expected to interact with each other and with the group's intergalactic medium, if present, in complex ways that trigger high-energy processes.

Brown, Beth A.↗
NASA NTRS2007

Single-Shot Scalar-Triplet Measurements in High-Pressure Swirl-Stabilized Flames for Combustion Code Validation

In support of NASA ARMD's code validation project, we have made significant progress by providing the first quantitative single-shot multi-scalar data from a turbulent elevated-pressure (5 atm), swirl-stabilized, lean direct injection (LDI) type research burner operating on CH4-air using a spatially-resolved pulsed-laser spontaneous Raman diagnostic technique. The Raman diagnostics apparatus and data analysis that we present here were developed over the past 6 years at Glenn Research Center. From the Raman scattering data, we produce spatially-mapped probability density functions (PDFs) of the instantaneous temperature, determined using a newly developed low-resolution effective rotational bandwidth (ERB) technique. The measured 3-scalar (triplet) correlations, between temperature, CH4, and O2 concentrations, as well as their PDF s, also provide a high-level of detail into the nature and extent of the turbulent mixing process and its impact on chemical reactions in a realistic gas turbine injector flame at elevated pressures. The multi-scalar triplet data set presented here provides a good validation case for CFD combustion codes to simulate by providing both average and statistical values for the 3 measured scalars.

Kojima, Jun↗
DOE OSTI2025

Lifting Triplet Degeneracy Through Organic‐Cation Driven Structural Perturbation to Modulate Luminescence of Sb 3+ ‐Doped Double Perovskite

The spin-orbit coupling (SOC) and the Jahn-Teller effect (JTE) alter the orbital degeneracy in materials, leading to unique optical, electronic, and magnetic properties essential in spintronics, quantum computing, and light-emitting diodes (LEDs). Here, the study employs luminescent p-xylylenediammonium (PXA) instead of Cs+ in Cs2NaInCl6 to yield 2D Sb3+-doped (PXA)2NaInCl8 double perovskite and demonstrates a non-degenerate triplet state resulting from enhanced JTE in the strong SOC regime, featuring distinct emission centers. Consequently, a broadband emission from both PXA and [SbCl6]3− spans the entire spectrum (350–750 nm), representing a rare single-source multi-emissive 2D perovskite. With in-depth comparative structural, temperature-dependent photo-physical, and theoretical studies, it is elucidated that the synergistic effect of SOC and JTE on the Eg and T2g lattice modes modulate the electronic structure of [SbCl6]3− by splitting the doubly degenerate E levels of 3 T$^{*}_{1u}$ into non-degenerate states. The physical model, supported by theoretical studies, explains the energy level splitting required to realize two kinds of radiative minima in the relaxed excited state.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Rhenium-Selenido Corroles: Reflections on 5d Metalloporphyrins and Metallocorroles as Triplet Emitters and Photosensitizers

Following the successful synthesis of rhenium-oxido, rhenium-imido, and rhenium-sulfido corroles, a series of para-X-substituted rhenium-selenido triarylcorroles (X = OCH 3 , CH 3 , H, F, CF 3 ) have been prepared in 70–76% yields. A one-pot, two-step procedure was used, analogous to that used for ReS corroles, involving rhenium insertion via high-temperature reaction of Re 2 (CO) 10 and free-base corroles in refluxing decalin, followed by exposure to PCl 3 (which is thought to deoxygenate ReO corroles formed under the reaction) and elemental selenium. An analogous procedure, however, failed to yield rhenium-tellurido corroles, presumably reflecting, according to DFT calculations, the limited stability of these species. Unlike ReO corroles, ReS and ReSe corroles were found not to exhibit phosphorescence in the NIR-I regime (600–1000 nm); nor did they sensitize singlet oxygen formation. In the hope of obtaining a broader perspective of this negative result, we also examined ReN porphyrins and found them not to phosphoresce or to sensitize singlet oxygen formation. These results were explained by DFT and TDDFT calculations in terms of low-energy triplet states, which are not energetic enough to excite molecular oxygen to its lowest singlet state. Whether some of the new Re corroles exhibit phosphorescence in the NIR-II regime remains an interesting question for future investigation.

Aromatic compounds↗
DOE OSTI2025

Alkali Metal Control of Triplet-Mediated C–H Activation in Iron-Mediated Coupling of Dinitrogen and Benzene

Direct coupling of N 2 with abundant feedstocks like benzene to form N-containing organic compounds is a promising strategy for N 2 fixation pathways. The challenge of coupling N 2 activation and C–H bond oxidative addition was recently solved by introducing a reversible benzene C–H bond activation process mediated by a low-valent Fe(0) complex, which gave an organometallic product that could couple with partially reduced N 2 . Interestingly, the energetics of the C–H oxidative addition/reductive elimination step depends on the choice of alkali metal. However, the reason why the alkali metal influences the C–H bond activation remained elusive. In this work, we present a comprehensive study on this Fe(0)-mediated reversible C–H activation. Through density functional theory combined with high-level coupled cluster calculations, we discovered that the intermediate-spin triplet (S = 1) controls the energy of the transition state for C–H cleavage, while the high-spin quintet (S = 2) controls the position of the equilibrium. Na + drives the equilibrium toward oxidative addition due to an electrostatic effect, while K + and Rb + are dominated by a steric effect that favors the iron(0) species. The key role played by nonbonding interactions in the Fe-mediated C–H activation provides a conceptual model for alkali control over organometallic transformations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Second Harmonic Generation Electric Field Triplet Interferometry for Absolute Phasing

We report second harmonic generation (SHG) electric field triplet interferometry performed using three mutually coherent ultrafast pulses in a common path with controllable relative phases, namely, the light fields of a sample signal (SI), a reference oscillator (RO), and a local oscillator (LO). The ROLO phase determined from the interference of the light fields produced by two quartz wafers is subtracted from the phase determined from the SIROLO interferogram to yield the signal phase, ϕ SI . The new method also calibrates the measured SHG intensity from a given sample internally by sending the fundamental light field reflected from the sample into one of the quartz wafers in the ROLO element. The approach avoids having to exchange the sample against a reference material with a known χ(2) value or known phase and accounts on-the-fly for situations where the reflected fundamental light field intensity changes with experimental conditions. The new method is successfully benchmarked against z-cut α-quartz, fused silica held at its point of zero charge, and hematite nanolayers in air, across three different interferometers. Furthermore, the approach should be applicable for other second-order nonlinear spectroscopies, such as vibrational or electronic sum-frequency generation.

Interfaces↗
DOE OSTI2025

Charge Transfer Dynamics in Dye-Sensitized Photocatalysts Using Metal Complex Sensitizers with Long-Wavelength Visible Light Absorption Based on Singlet–Triplet Excitation

An Os(II) polypyridyl complex was applied as a photosensitizer in dye-sensitized photocatalyst systems based on Pt-intercalated HCa 2 Nb 3 O 10 and Pt-loaded TiO 2 . The Os(II) complex exhibits a spin-forbidden but partially allowed triplet metal-to-ligand charge transfer ( 3 MLCT) transition, enabling broad visible light absorption up to 800 nm, which surpasses that of conventional Ru(II)-based dyes. Despite its shorter excited-state lifetime compared to Ru(II) complexes, efficient electron injection from the excited Os(II) dye into the semiconductor was confirmed. Under visible-light irradiation, the Os(II)- sensitized photocatalysts showed higher H 2 evolution activity than the Ru(II)-sensitized photocatalysts when sodium ascorbate was used as an electron donor, demonstrating effective utilization of long-wavelength visible light. In contrast, negligible H 2 evolution was observed when NaI was employed as a redox mediator for Z-scheme water splitting. Transient absorption spectroscopy revealed that the lack of activity stemmed from inefficient electron transfer from I − to oxidized Os(II). These findings highlight the importance of selecting appropriate redox mediators to fully exploit long-wavelength dyes for overall water splitting under visible light.

artificial photosynthesis↗
DOE OSTI2025

Shell Thickness and Heterogeneity Dependence of Triplet Energy Transfer between Core–Shell Quantum Dots and Adsorbed Molecules

Quantum dot (QD)-sensitized triplet energy transfer (TET) has found promising applications in photon upconversion and photocatalysis. However, the underlying mechanism of TET in the QD-acceptor complex remains unclear despite the well-developed TET theory for the molecular donor–acceptor systems. Herein, the coupling strength of TET from CdSe/CdS core–shell QDs to 9-anthracene carboxylic acid (ACA) was studied by measuring the TET rate as a function of shell thickness with time-resolved photoluminescence. The change of TET-coupling strength with increasing shell thickness was further compared to those of electron and hole transfers from QDs so that we could test whether QD-sensitized TET is mediated by the charge transfer virtual state and can be considered as simultaneous electron and hole transfers as in molecular donor–acceptor systems. The measured coupling strength of TET from the CdSe/CdS QD decreases exponentially with the CdS shell thickness r: |V|(r) = |V|(0)e –βr , with an exponential decay factor β of 0.19 Å –1 , which is smaller than the sum of the measured decay factors for electron transfer to methyl viologen (0.18 Å –1 ) and hole transfer to phenothiazine (0.29 Å –1 ) from the same QD. This inconsistency is explained by the broadening of QD shell thicknesses in the distance dependence study, which significantly modifies the TET-coupling strength and driving force, resulting in a shallower distance dependence of the TET rate constants. This study sheds light on the fundamental mechanisms of QD-sensitized TET reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗