Search NASA⌕ Search

SEARCH · Search NASA

Results for “iron compounds”

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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Bimolecular Reductive Elimination of Ethane from Pyridine(diimine) Iron Methyl Complexes: Mechanism, Electronic Structure, and Entry into [2+2] Cycloaddition Catalysis

The application of bimolecular reductive elimination to the activation of iron catalysts for alkene–diene cycloaddition is described. Key to this approach was the synthesis, characterization, electronic structure determination, and ultimately solution stability of a family of pyridine(diimine) iron methyl complexes with diverse steric properties and electronic ground states. Both the aryl-substituted, ( Me PDI)FeCH 3 and ( Et PDI)FeCH 3 ( R PDI = 2,6-(2,6-R 2 -C 6 H 3 N=CMe) 2 C 5 H 3 N), and the alkyl-substituted examples, ( Cy APDI)FeCH 3 ( Cy APDI = 2,6-(C 6 H 11 N=CMe) 2 C 5 H 3 N), have molecular structures significantly distorted from planarity and S = 3/2 ground states. The related N-arylated derivative bearing 2,6-di-isopropyl aryl substituents, ( iPr PDI)FeCH 3 , has an idealized planar geometry and exhibits spin crossover behavior from S = 1/2 to S = 3/2 states. At 23 °C under an N 2 atmosphere, both ( Me PDI)FeCH 3 and ( Et PDI)FeCH 3 underwent reductive elimination of ethane to form the iron dinitrogen precatalysts, [( Me PDI)Fe(N 2 )] 2 (μ-N 2 ) and [( Et PDI)Fe(N 2 )] 2 (μ-N 2 ), respectively, while ( iPr PDI)FeCH 3 proved inert to C–C bond formation. By contrast, addition of butadiene to all three iron methyl complexes induced ethane formation and generated the corresponding iron butadiene complexes, ( R PDI)Fe(η 4 -C 4 H 6 ) (R = Me, Et, i Pr), known precatalysts for the [2+2] cycloaddition of olefins and dienes. Kinetic, crossover experiments, and structural studies were combined with magnetic measurements and Mössbauer spectroscopy to elucidate the electronic and steric features of the iron complexes that enable this unusual reductive elimination and precatalyst activation pathway. Furthermore, transmetalation of methyl groups between iron centers was fast at ambient temperature and independent of steric environment or spin state, while the intermediate dimer underwent the sterically controlled rate-determining reaction with either N 2 or butadiene to access a catalytically active iron compound.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Isostructural bridging diferrous chalcogenide cores [Fe II (μ-E)Fe II ] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series

Iron compounds containing a bridging oxo or sulfido moiety are ubiquitous in biological systems, but substitution with the heavier chalcogenides selenium and tellurium, however, is much rarer, with only a few examples reported to date. Here we show that treatment of the ferrous starting material [( tBu pyrpyrr 2 )Fe(OEt 2 )] (1-OEt 2 ) ( tBu pyrpyrr 2 = 3,5- t Bu 2 -bis(pyrrolyl)pyridine) with phosphine chalcogenide reagents E = PR 3 results in the neutral phosphine chalcogenide adduct series [( tBu pyrpyrr 2 )Fe(EPR 3 )] (E = O, S, Se; R = Ph; E = Te; R = t Bu) (1-E) without any electron transfer, whereas treatment of the anionic starting material [K] 2 [( tBu pyrpyrr 2 )Fe 2 (μ-N 2 )] (2-N 2 ) with the appropriate chalcogenide transfer source yields cleanly the isostructural ferrous bridging mono-chalcogenide ate complexes [K] 2 [( tBu pyrpyrr 2 )Fe 2 (μ-E)] (2-E) (E = O, S, Se, and Te) having significant deviation in the Fe–E–Fe bridge from linear in the case of E = O to more acute for the heaviest chalcogenide. All bridging chalcogenide complexes were analyzed using a variety of spectroscopic techniques, including 1 H NMR, UV-Vis electronic absorbtion, and 57 Fe Mössbauer. The spin-state and degree of communication between the two ferrous ions were probed via SQUID magnetometry, where it was found that all iron centers were high-spin (S = 2) Fe II , with magnetic exchange coupling between the Fe II ions. Magnetic studies established that antiferromagnetic coupling between the ferrous ions decreases as the identity of the chalcogen is tuned from O to the heaviest congener Te.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1971

Venus Clouds: A dirty hydrochloric acid model

The spectral and polarization data for Venus are consistent with micron-sized, aerosol cloud particles of hydrochloric acid containing soluble and insoluble iron compounds, whose source could be volcanic or crustal dust. The ultraviolet features could arise from variations in the Fe-HCl concentration in the cloud particles.

Hapke, B.↗
NASA NTRS1972

ERTS computer compatible tape data processing and analysis. Appendix 1: The utility of imaging radars for the study of lake ice

There are no author-identified significant results in this report. Remotely sensed multispectral scanner and return beam vidicon imagery from ERTS-1 is being used for: (1) water depth measurements in the Virgin Islands and Upper Lake Michigan areas; (2) mapping of the Yellowstone National Park; (3) assessment of atmospheric effects in Colorado; (4) lake ice surveillance in Canada and Great Lakes areas; (5) recreational land use in Southeast Michigan; (6) International Field Year on the Great Lakes investigations of Lake Ontario; (7) image enhancement of multispectral scanner data using existing techniques; (8) water quality monitoring of the New York Bight, Tampa Bay, Lake Michigan, Santa Barbara Channel, and Lake Erie; (9) oil pollution detection in the Chesapeake Bay, Gulf of Mexico southwest of New Orleans, and Santa Barbara Channel; and (10) mapping iron compounds in the Wind River Mountains.

Polcyn, F. C.↗
NASA NTRS1973

Reflection spectra of solids of planetary interest

The spectra of solids are reproduced which might be found on the surfaces of planetary bodies or as solid condensates in the upper planetary atmosphere. Among these are spectra of various iron compounds of interest in the study of the clouds of Venus. Other spectra are included of various sulfides, some at low temperature, relevant to the planet Jupiter. Meteorite and coal abstracts are also included, to illustrate dark carbon compounds.

Sill, G. T.↗
NASA NTRS1973

Reflection spectra of solids of planetary interest

This paper reproduces the spectra of solids which might be found on the surfaces of planetary bodies or as solid condensates in the upper planetary atmosphere. Among these are spectra of various iron compounds of interest in the study of the clouds of Venus. Other spectra (some at low temperature) are included for various sulfides relevant to the planet Jupiter. Meteorite and coal spectra are also included to illustrate dark carbon compounds.

Sill, G. T.↗
NASA NTRS1974

Thermomagnetic analysis of meteorites. I - Cl chondrites

Samples of all five of the known Cl chondrites have been analyzed thermomagnetically. The only magnetic phase found in four of the chondrites (Alais, Ivuna, Orgueil, Tonk) was magnetite containing less than 6% nickel. The Revelstoke Cl chondrite contains essentially Ni-free Fe3O4 as the predominant phase; however, a small amount of a thermally unstable iron compound (presumably FeS) is additionally present. Estimates of the weight percentage of magnetite, based on saturation moments, are: Alais, 5.3 plus or minus 0.4%; Ivuna, 12.2 plus or minus 0.9%; Orgueil, 11.9 plus or minus 0.8%; Revelstoke, 7.2 plus or minus 0.5%; and Tonk, 9.4 plus or minus 0.6%.

Larson, E. E.↗
NASA NTRS1977

Investigation of the composition of the Luna 16 lunar sample

The concentrations of aluminum, manganese, sodium, chromium, iron, cobalt, and 12 rare earth elements were determined by neutron activation analysis using slow neutrons. Oxygen and silicon were determined using a fast neutron generator. Mossbauer spectroscopy was used to investigate iron compounds in Luna 16 regolith samples from the upper part of the core.

Bakos, L.↗
NASA NTRS1984

No sulfur flows on Io

Physical and chemical properties of elemental sulfur are incompatible with the suggestion that the colored flows associated with volcanoes on Io are quenched unstable allotropes of sulfur. Either the volcanic flows are not sulfur, or some mechanism other than quenching is required to produce colored forms of sulfur in them. The properties of sulfur are unsuited to the production and survival of colored unstable allotropes on Io. The color of this object is probably due to some other material, possibly iron compounds.

Young, A. T.↗
NASA NTRS2000

A Long-term Record of Saharan Dust Aerosol Properties from TOMS Observations: Optical Depth and Single Scattering Albedo

The interaction between the strong Rayleigh scattering in the near UV spectral region (330-380 nm) and the processes of aerosol absorption and scattering, produce a clear spectral signal in the upwelling radiance at the top of the atmosphere. This interaction is the basis of the TOMS (Total Ozone Mapping Spectrometer) aerosol retrieval technique that can be used for their characterization and to differentiate non-absorbing sulfates from strongly UV-absorbing aerosols such as mineral dust. For absorbing aerosols, the characterization is in terms of the optical depth and single scattering albedo with assumptions about the aerosol plume height. The results for non-absorbing aerosols are not dependent on plume height. Although iron compounds represent only between 5% to 8% of desert dust aerosol mass, hematite (Fe2O3) accounts for most of the near UV absorption. Because of the large ultraviolet absorption characteristic of hematite, the near UV method of aerosol sensing is especially suited for the detection and characterization of desert dust aerosols. Using the combined record of near UV measurements by the Nimbus7 (1978-1992) and Earth Probe (1996-present) TOMS instruments, a global longterm climatology of near UV optical depth and single scattering albedo has been produced. The multi-year long record of mineral aerosol properties over the area of influence of the Saharan desert, will be discussed.

Torres, Omar↗
NASA NTRS2012

Detecting Organic Compounds Released from Iron Oxidizing Bacteria using Sample Analysis at Mars (SAM) Like Instrument Protocols

Mars is a planet of great interest for Astrobiology since its past environmental conditions are thought to have been favourable for the emergence life. At present, the Red Planet is extremely cold and dry and the surface is exposed to intense UV and ionizing radiation, conditions generally considered to be incompatible with life as we know it on Earth. It was proposed that the shallow subsurface of Mars, where temperatures can be above freezing and liquid water can exist on rock surfaces, could harbor chemolithoautotrophic bacteria such as the iron oxidizing microorganism Pseudomonas sp. HerB. The Mars Science Laboratory (MSL) mission will provide the next opportunity to carry out in situ measurements for organic compounds of possible biological origin on Mars. One instrument onboard MSL, called the Sample Analysis at Mars (SAM) instrument suite, will carry out a broad and sensitive search for organic compounds in surface samples using either high temperature pyrolysis or chemical extraction followed by gas chromatography mass spectrometry. We present gas chromatograph mass spectrometer (GC/MS) data on crushed olivine rock powders that have been inoculated with Pseudomonas sp. HerB at different concentrations ranging from approx 10(exp 2) to 10(exp 7) cells per gram. The inoculated olivine samples were heated under helium carrier gas flow at 500 C and the pyrolysis products concentrated using a SAM-like hydrocarbon trap set at -20 C followed by trap heating and analysis by GC/Ms. In addition, the samples were also extracted using a low temperature "one-pot" chemical extraction technique using N-methyl, N-(tert-butyldimethylsilyl) trifluoroacetamide (MTBSTFA) as the silylating agent prior to GC/MS analysis. We identified several aldehydes, thiols, and alkene nitriles after pyrolysis GC/MS analysis of the bacteria that were not found in the olivine control samples that had not been inoculated with bacteria. The distribution of pyrolysis products extracted from the bacteria was clearly distinct from similar GC/MS analyses of the carbonaceous meteorite Murchison that was dominated by sulfur containing aromatic compounds. A similar comparison, if organic compounds are detected by SAM on Mars, could be useful to help discriminate between meteoritic or biological origins.

Glavin, D. P.↗
DOE OSTI2020

Iron telluride ladder compounds: Predicting the structural and magnetic properties of BaFe 2 Te 3

Since the discovery of pressure-induced superconductivity in the two-leg ladder system BaFe 2 X 3 (X=S, Se), with the 3d iron electronic density n=6, quasi-one-dimensional iron-based ladders have attracted considerable attention. In this work, we use density-functional theory to predict that the novel n=6 iron ladder BaFe 2 Se 3 could be stable with a similar crystal structure as BaFe 2 Se 3 . Furthermore, our results also indicate that BaFe2Te3 will display a complex 2×2 block-type magnetic order. Due to the magnetic striction effects of this block order, BaFe2Te3 should be a magnetic noncollinear ferrielectric system with a net polarization 0.31μC/cm2. In summary, the similar electronic density and magnetic ground state of Te- and Se-based ladders indicates both should display similar properties. In particular, the physical and structural similarity with BaFe 2 Se 3 suggests that BaFe 2 Se 3 could become superconducting under high pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1973

Interaction of some extreme-pressure type lubricating compounds with an iron surface

An iron surface was exposed to the extreme-pressure type lubricant benzyl chloride, dichlorophenyl phosphine, dichlorophenyl phosphine sulfide, ophenyl phosphine oxide. Iron, in the sputter-cleaned state, was exposed to these materials statically and during dynamic friction experiments. With benzyl chloride only chlorine adsorbed to the surface, and with dichlorophenyl phosphine no adsorption occurred, while the addition of sulfur to that same molecular structure resulted in the promotion of carbon and chlorine adsorption. substitution of oxygen for sulfur in the dichlorobenzyl phosphine molecule resulted in carbon, chlorine, and oxygen adsorption. With none of the phosphorus containing molecules was phosphorus detected on the surface. Sliding in an atmosphere of benzyl chloride promoted adsorption of chlorine to the iron surface. Increases in load resulted in a decrease in the surface concentration of iron chloride.

Buckley, D. H.↗
NASA NTRS1999

Abiotic formation of hydrocarbons and oxygenated compounds during thermal decomposition of iron oxalate

The formation of organic compounds during the decomposition of iron oxalate dihydrate (IOD) was investigated as a possible analog for abiotic organic synthesis in geological systems. After heating at 330 degrees C for 2-4 days, IOD decomposed to a mixture of the minerals siderite and magnetite plus gas and non-volatile organic compounds. The organic products included an extremely large variety of compounds, making identification of individual reaction products difficult. However, the non-volatile products were dominated by several homologous series of alkylated cyclic compounds mostly containing a single aromatic ring, including alkylphenols, alkylbenzenes, alkyltetrahydronaphthols, and alkyltetrahydronaphthalenes. Traces of n-alkanols, n-alkanoic acids, n-alkanones, and n-alkanes were also identified. Carbon in the gas phase was predominantly CO2 (+CO?), with lesser amounts of light hydrocarbons to > C6 including all possible branched and normal isomers of the alkanes and alkenes. The organic products were apparently the result of two concurrent reaction processes: (1) condensation of the two-carbon units present in the initial oxalate moiety, and (2) Fischer-Tropsch-type synthesis from CO2 or CO generated during the experiment. Compounds produced by the former process may not be characteristic of synthesis from the single-carbon precursors which predominate in geologic systems, suggesting iron oxalate decomposition may not provide a particularly suitable analog for investigation of abiotic organic synthesis. When water was included in the reaction vessels, CO2 and traces of methane and light hydrocarbon gases were the only carbon products observed (other than siderite), suggesting that the presence of water allowed the system to proceed rapidly towards equilibrium and precluded the formation of metastable organic intermediates.

Non-NASA Center↗
NASA NTRS2004

Mineralogy at Gusev Crater from the Mossbauer spectrometer on the Spirit Rover

Mossbauer spectra measured on Mars by the Spirit rover during the primary mission are characterized by two ferrous iron doublets (olivine and probably pyroxene) and a ferric iron doublet (tentatively associated to nanophase ferric iron oxide). Two sextets resulting from nonstoichiometric magnetite are also present, except for a coating on the rock Mazatzal, where a hematite-like sextet is present. Greater proportions of ferric-bearing phases are associated with undisturbed soils and rock surfaces as compared to fresh rock surfaces exposed by grinding. The ubiquitous presence of olivine in soil suggests that physical rather than chemical weathering processes currently dominate at Gusev crater.

Minerals↗
NASA NTRS1974

The interior of the Moon

Questions of lunar bulk chemistry are being considered, giving attention to the depletion of the moon in iron and compounds more volatile than iron. Currently four seismic stations are operating on the moon to provide data for the study of the lunar interior. The travel times of seismic waves generated by artificial impacts have been used to determine the structure of the outer 150 km of the moon. New evidence fails to resolve the controversy whether the lunar interior is hot or cold. A schematic cross section of the moon is presented and problems concerning the origin of the moon are considered.

Anderson, D. L.↗
DOE OSTI2021

Exploring DFT+U parameter space with a Bayesian calibration assisted by Markov chain Monte Carlo sampling

Abstract The density-functional theory is widely used to predict the physical properties of materials. However, it usually fails for strongly correlated materials. A popular solution is to use the Hubbard correction to treat strongly correlated electronic states. Unfortunately, the values of the Hubbard U and J parameters are initially unknown, and they can vary from one material to another. In this semi-empirical study, we explore the U and J parameter space of a group of iron-based compounds to simultaneously improve the prediction of physical properties (volume, magnetic moment, and bandgap). We used a Bayesian calibration assisted by Markov chain Monte Carlo sampling for three different exchange-correlation functionals (LDA, PBE, and PBEsol). We found that LDA requires the largest U correction. PBE has the smallest standard deviation and its U and J parameters are the most transferable to other iron-based compounds. Lastly, PBE predicts lattice parameters reasonably well without the Hubbard correction.

36 MATERIALS SCIENCE↗
NASA NTRS2000

Laser pyrolysis fabrication of ferromagnetic gamma'-Fe4N and FeC nanoparticles

Using the laser pyrolysis method, single phase gamma'-Fe4N nanoparticles were prepared by a two step method involving preparation of nanoscale iron oxide and a subsequent gas-solid nitridation reaction. Single phase Fe3C and Fe7C3 could be prepared by laser pyrolysis from Fe(CO)5 and 3C2H4 directly. Characterization techniques such as XRD, TEM and vibrating sample magnetometer were used to measure phase structure, particle size and magnetic properties of these nanoscale nitride and carbide particles. c2000 American Journal of Physics.

NASA Discipline Life Sciences Technologies↗