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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Complex ridged terrain-related ridge belts on Venus: Global distribution and classification

Fifty-six features were identified in a global survey of complex ridged terrain (CRT)-related ridge belts. Nonrandom aerial distribution was observed with all of the CRT-related ridge belts located to the north of 20 deg S and increasing in number towards the north. In the equatorial highlands the only concentration of CRT-related ridge belts occurs along N and NE Ovda Regio and western Thetis Regio. Major areas of CRT devoid of related ridge belts (Beta, Phoebe, Alpha Regiones, and northern Lada Terra) are regions dominated by rifting, fractures, coronae, and volcanic features. A noticeable concentration of ridge belts is located within a region 20 deg S - 80 deg N, 0 deg - 150 deg E. Three classes of CRT-related ridge belts were defined: (1) ridge belts directly in contact with CRT margins, (2) ridge belts located apart from the CRT boundary, but whose shape and strike are affected by CRT, and (3) ridge belts terminating against a margin of CRT. There does not appear to be any relation between ridge belt class and type of CRT margin. Some of the class 2 and 3 belts of the 20 deg S - 80 deg N, 0 deg - 150 deg E region seem to be continuations of adjacent elongated blocks of CRT and could reflect the hypothesized basement of tessera-like material. Majority of class 1 and 2 ridge belts within this region parallel N of NE boundaries of large CRT plateaus of arc-like arrangements of tesserae. These relationships show that this region was dominated by compressional stresses oriented perpendicular to the CRT boundaries, in N-S/NE-SW direction.

Toermaenen, T.↗
NASA NTRS1994

A cheaper, faster, better way to detect water of hydration on Solar System bodies

The 3.0-micrometers water of hydration absorption feature observed in the IR photometry of many low-albedo and some medium-albedo asteroids strongly correlates with the 0.7-micrometers Fe(+2) to Fe(+3) oxidized iron absorption feature observed in narrowband spectrophotometry of these asteroids. Using this relationship, an empirical algorithm for predicting the presence of water of hydration in the surface material of a Solar System body using photometry obtained through the Eight-Color Asteroid Survey nu (0.550 micrometers), w (0.701 micrometers), and x (0.853 micrometers) filters was developed and applied to the ECAS photometry of asteroids and outer planet satellites. The percentage of objects in low-albedo, outer main-belt asteroid classes that test positively for water of hydration increases from P to B to C to G class and correlates linearly with the increasing mean albedos of those objects testing positively. The medium-albedo M-class asteroids do not test positively in large number using this algorithm. Aqueously altered asteroids dominate the Solar System population between heliocentric distances of 2.6 to 3.5 AU, bracketing the Solar System region where the aqueous alteration mechanism operated most strongly. One jovian satellite, J VI Himalia, and one saturnian satellite. Phoebe, tested positively for water of hydration, supporting the hypothesis that these may be captured C-class asteroids from a postaccretional dispersion. The proposed testing technique could be applied to an Earth-based survey of asteroids or a space-probe study of an asteroid's surface characteristic in order to identify a potential water source.

Vilas, Faith↗
NASA NTRS1999

The Cassini/Huygens Mission to the Saturnian System

Cassini/Huygens will carry out an in-depth exploration of the Saturnian system. On October 15, 1996 the spacecraft was launched on its interplanetary journey. On the way to Saturn, Cassini/Huygens, will flyby Venus, twice (April 26, 1998; June 24, 1999), the Earth once (August 18, 1999), and Jupiter (December 30, 2000). On approach to Saturn, the small satellite Phoebe will be encountered on June 11, 2004. Upon arrival at Saturn on July 1, 2004, Cassini/Huygens will fire its main engine and go into orbit about the planet. Huygens will be delivered to Titan on November 27, 2004. After deceleration in the upper atmosphere, Huygens will deploy a parachute system and its six instruments will make scientific measurements and observations as it descends to the surface. These data then will be transmitted to the Orbiter which, in turn, will relay them to the Earth. The Orbiter will then commence a four year long tour of the Saturnian system. With its complement of 12 instruments, Cassini is capable of making a wide range of in situ and remote sensing observations. There will be repeated close flybys of Titan both to make measurements and for gravity-assisted orbit changes that will enable Cassini to visit other satellites, various parts of the magnetosphere, and obtain occultations of the rings and atmospheres of Saturn and Titan. During the span of the mission, Cassini will also record temporal changes in many of the properties that it can observe. The presentation will emphasize current status and plans for the mission. (The Cassini mission is a joint undertaking by NASA and ESA. This work was carried out at Jet Propulsion Laboratory, California Institute of Technology, under contract to NASA.)

Matson, D. L.↗
NASA NTRS2001

Arecibo to Goldstone Radar Interferometric Topography of Selected Regions of Venus

New high resolution digital elevation models (DEMs) of the equatorial region of Venus will be merged with Magellan imagery in order to investigate the relationship between the emplacement of the plains and the tesserae, and rifting in Phoebe Region. Additional information is contained in the original extended abstract.

Slade, M. A.↗
NASA NTRS2000

Formation of Large Regular Satellites of Giant Planets in an Extended Gaseous Nebula: Subnebula Model and Accretion of Satellites

We model the subnebulae of Jupiter and Saturn wherein satellite accretion took place. We expect a giant planet subnebula to be composed of an optically thick (given gaseous opacity) inner region inside of the planet's centrifugal radius (located at r(sub c, sup J) = l5R(sub J) for Jupiter and r(sub c, sup S) = 22R(sub S) for Saturn), and an optically thin, extended outer disk out to a fraction of the planet's Roche lobe, which we choose to be R(sub roche)/5 (located at approximately 150R(sub J) near the inner irregular satellites for Jupiter, and approximately 200R(sub S) near Phoebe for Saturn). This places Titan and Ganymede in the inner disk, Callisto and Iapetus in the outer disk, and Hyperion in the transition region. The inner disk is the leftover of the gas accreted by the protoplanet. The outer disk results from the solar torque on nebula gas flowing into the protoplanet during the time of giant planet gap opening. For the sake of specificity, we use a cosmic mixture 'minimum mass' model to constrain the gas densities of the inner disks of Jupiter and Saturn (and also Uranus). For the total mass of the outer disk we use the simple scaling M(sub disk) = M(sub P)tau(sub gap)/tau(sub acc), where M(sub P) is the mass of the giant planet, tau(sub gap) is the gap opening timescale, and tau(sub acc) is the giant planet accretion time. This gives a total outer disk mass of approximately 100M(sub Callisto) for Jupiter and possibly approximately 200M(sub Iapetus) for Saturn (which contain enough condensables to form Callisto and Iapetus respectively). Our model has Ganymede at a subnebula temperature of approximately 250 K and Titan at approximately 100 K. The outer disks of Jupiter and Saturn have constant temperatures of 130 K and 90 K respectively.

Mosqueira, I.↗
NASA NTRS2005

Temperatures, winds, and composition in the saturnian system

Stratospheric temperatures on Saturn imply a strong decay of the equatorial winds with altitude. If the decrease in winds reported from recent Hubble Space Telescope images is not a temporal change, then the features tracked must have been at least 130 kilometers higher than in earlier studies. Saturn's south polar stratosphere is warmer than predicted from simple radiative models. The C/H ratio on Saturn is seven times solar, twice Jupiter's. Saturn's ring temperatures have radial variations down to the smallest scale resolved (100 kilometers). Diurnal surface temperature variations on Phoebe suggest a more porous regolith than on the jovian satellites.

Saturn↗
NASA NTRS2005

Lunar and Planetary Science XXXVI, Part 14

Contents include the following: Destruction of Presolar Silicates by Aqueous Alteration Observed in Murchison CM2 Chondrite. Generation of Chondrule Forming Shock Waves in Solar Nebula by X-Ray Flares. TEM and NanoSIMS Study of Hydrated/Anhydrous Phase Mixed IDPs: Cometary or Asteroidal Origin? Inflight Calibration of Asteroid Multiband Imaging Camera Onboard Hayabusa: Preliminary Results. Corundum and Corundum-Hibonite Grains Discovered by Cathodoluminescence in the Matrix of Acfer 094 Meteorite. Spatial Extent of a Deep Moonquake Nest A Preliminary Report of Reexamination. Modal Abundances of Carbon in Ureilites: Implications for the Petrogenesis of Ureilites. Trapped Noble Gas Components and Exposure History of the Enstatite Chondrite ALH84206. Deep-seated Crustal Material in Dhofar Lunar Meteorites: Evidence from Pyroxene Chemistry. Numerical Investigations of Kuiper Belt Binaries. Dust Devils on Mars: Effects of Surface Roughness on Particle Threshold. Hecates Tholus, Mars: Nighttime Aeolian Activity Suggested by Thermal Images and Mesoscale Atmospheric Model Simulations. Are the Apollo 14 High-Al Basalts Really Impact Melts? Garnet in the Lunar Mantle: Further Evidence from Volcanic Glass Beads. The Earth/Mars Dichotomy in Mg/Si and Al/Si Ratios: Is It Real? Dissecting the Polar Asymmetry in the Non-Condensable Gas Enhancement on Mars: A Numerical Modeling Study. Cassini VIMS Preliminary Exploration of Titan s Surface Hemispheric Albedo Dichotomy. An Improved Instrument for Investigating Planetary Regolith Microstructure. Isotopic Composition of Oxygen in Lunar Zircons Preliminary Design of Visualization Tool for Hayabusa Operation. Size and Shape Distributions of Chondrules and Metal Grains Revealed by X-Ray Computed Tomography Data. Properties of Permanently Shadowed Regolith. Landslides in Interior Layered Deposits, Valles Marineris, Mars: Effects of Water and Ground Shaking on Slope Stability. Mars: Recent and Episodic Volcanic, Hydrothermal, and Glacial Activity Revealed by Mars Express High Resolution Stereo Camera (HRSC). The Cratering Record of the Saturnian Satellites Phoebe, Tethys, Dione and Iapetus in Comparison: First Results from Analysis of the Cassini ISS Imaging Data. Joint Crossover Solutions of Altimetry and Image Data on 433 Eros. The Martian Soil as a Geochemical Sink for.

Source record↗
NASA NTRS2005

VIMS Observations of Titan During the First Two Close Flybys by the Cassini-Huygens Mission

The joint NASA-ESA-ASI Cassini-Huygens mission reached the saturnian system on July 1st 2004. It started the observations of Saturn s environment including its atmosphere, rings, and satellites (Phoebe, Iapetus and Titan). Titan, one of the primary scientific interests of the mission, is veiled by an ubiquitous thick haze. Its surface cannot be seen in the visible but as the haze effects decrease with increasing wavelength, there is signal in the infrared atmospheric windows if no clouds are present. Onboard the Cassini spacecraft, the VIMS instrument (Visual and Infrared Mapping Spectrometer) is expected to pierce the veil of the hazy moon and successfully image its surface in the infrared wavelengths, taking hyperspectral images in the range 0.4 to 5.2 micron. On 26 October (TA) and 13 December 2004 (TB), the Cassini-Huygens mission flew over Titan at an altitude lower than 1200 km at closest approach. VIMS acquired several tens of image cubes with spatial resolution ranging from a few tens of kilometers down to 1.5 kilometer per pixel, demonstrating its capability for studying Titan s geology.

Rodriquez, S.↗
NASA NTRS2005

Near Infrared Spectra of Mixtures Relevant to Icy Satellites

We will present near IR spectra of ice mixtures and review the differences between spectra of mixtures and those of pure solids: the creation of new features, weakening and shifting of bands, dependence on concentration, and changes with temperature. The forbidden CO2 (2nu3) overtone at 2.134 microns (4685/cm) is absent from the spectrum of pure CO2, but present in all of the following mixtures: H2O/CO2 = 5 and = 25, H2O:CH3OH:CO2 = 100:2.5:1, and CH3OH:CO2 = 5. Also, in mixtures of H2O and any other material, we see a feature at 1.89 microns (5290/cm) that is possibly related to the "dangling OH" feature at 2.73 microns (3360/cm). The features of a material in H2O are generally weaker and shifted to longer wavelength in comparison to the pure substance. For example, the largest near-IR absorption of pure solid CH4 is located at 2.324 microns (4303/cm) but is broader and at slightly longer wavelength in samples mixed with H2O. The degree of shifting and weakening depends on the ratio of the mixture. The mixture mentioned above was at a ratio of H2O/ CH4 = 3. When the ratio rises to H2O/ CH4 = 87, the CH4 feature at 2.324 microns is shifted to shorter wavelength and is much broader and weaker. In CH4/ H2O mixtures the peaks shift to higher frequency and become increasingly broad, but this trend is reversible on re-cooling, even though the phase transitions of H2O are irreversible. In short, mixtures created in the lab produce spectra that are very different from modeled combinations of end member species. Recent Cassini VIMS observations show the CO2 fundamental at 4.255 microns (2350/cm) on Iapetus [l] and at 4.26 microns (2347/cm) on Phoebe [2], while Galileo NIMS observed it at 4.25 microns (2353/cm) on Ganymede [3]. Since pure CO2 is located at 4.266 (2344/cm), the CO2 must be mixed with something else to produce the shift. A mixture of CH3OH:CO2 = 5 at 90 K shifts the fundamental to 4.262 microns (2346/cm). The shifts in the feature between satellites could indicate variations in concentration and temperature, or the introduction of a new compound, encouraging further lab investigation.

Mastrapa, Rachel M. E.↗
NASA NTRS2006

Complex Organic Materials on Planetary Satellites and Other Small Bodies of the Solar System

The search for organic materials on small bodies of the Solar System is conducted spectroscopically from Earth-based telescopes and from spacecraft. Although the carbonaceous meteorites carry a significant inventory of complex organic solids, the sources of these meteorites have not been identified. Infrared spectra of a sample of the suspected sources, the C- and D-class asteroids, including new data from the Spitzer Space Telescope, show signatures of silicates, but none diagnostic of organic compounds. In the absence of discrete spectral features, the low albedos and colors in the visible and near-IR spectral regions are the principal links between the organic-bearing meteorites and the asteroids. While Pluto and a few trans-neptunian objects show spectral signatures of frozen CH4. Solid CH3OH has been identified on two Centaur objects in the outer Solar System. In some cases the red colors of those objects suggest the presence of tholins. The VIMS instrument aboard the Cassini spacecraft in orbit around Saturn has detected near-IR spectral features on at least three of Saturn's satellites that are indicative or suggestive of organic molecules. One entire hemisphere of the satellite Iapetus is covered with low-albedo material that shows a spectral signature of aromatic hydrocarbons (3.3 microns) and the -CH2 stretching mode bands of an aliphatic component. Organics absorbing at 3.44 microns are suspected in the region of the south pole of Enceladus, and also on the surface of Phoebe. Organic material may originate on icy bodies in the current epoch by various processes of energy deposition into native material, or they may fall to the surface from an external (probably cometary) source. Some organic material may be pre-solar, having originated in the interstellar medium before the formation of the Solar System. Using the techniques of remote sensing, its detection and analysis are slow and difficult.

Cruikshank, Dale P.↗
NASA NTRS2006

Icy Satellites of the Planets, and the Work of V.I. Moroz

The satellites of the giant planets are highly varied in size and density, indicating a wide range of compositions. The principal components of these satellites are ices of many different compositions (with H2O the most abundant) and varying amounts of silicate rocky material. Many different ices have been found by spectroscopic techniques both from Earth-based observatories and from planetary spacecraft. Three of the Galilean satellites of Jupiter exhibit H2O ice on their surfaces, while small amounts of CO2 are present on Ganymede and Callisto. The volcanic satellite Io has abundant SO2 ice and frost deposits. Saturn s satellites have surfaces dominated by H2O ice, but CO2 is also present on most of them, and in the cases of the low-albedo satellites Iapetus and Phoebe, there is evidence of complex hydrocarbons mixed with the surface materials. The large Uranian satellites also have H2O-dominated surfaces, but CO2 has also been discovered on two of them. Neptune s largest satellite, Triton, show spectroscopic evidence for six different ices, including N2, CH4, CO, CO2, H2O, and C2H6. The latter ice is a photochemical product from the action of sunlight on Triton's atmosphere. Pluto is similar to Triton, although CO2 has not been found. Pluto s large satellite, Charon, shows evidence for an ammonia hydrate on part of its surface. V. I. Moroz was a pioneer in the application of near-infrared detectors to astronomical sources. Using a prism spectrometer he measured the spectra of the Galilean satellites of Jupiter, and in 1966 he published the first near-infrared spectra, noting the appearance of H2O ice as a major component of Europa and Ganymede. This discovery, and the techniques of Moroz measurements help set the stage for the broad extension of the study of planetary, satellite, and asteroid surfaces through reflectance spectroscopy in the near-infrared.

Cruikshank, Dale P.↗
NASA NTRS2010

Abstracts of the Annual Meeting of Planetary Geologic Mappers, Flagstaff, AZ, 2010

Topics covered include: Detailed Analysis of the Intra-Ejecta Dark Plains of Caloris Basin, Mercury; The Formation and Evolution of Tessera and Insights into the Beginning of Recorded History on Venus: Geology of the Fortuna Tessera Quadrangle (V-2); Geologic Map of the Snegurochka Planitia Quadrangle (V-1): Implications for the Volcanic History of the North Polar Region of Venus; Geological Map of the Fredegonade (V-57) Quadrangle, Venus: Status Report; Geologic Mapping of V-19; Geology of the Lachesis Tessera Quadrangle (V-18), Venus; Comparison of Mapping Tessera Terrain in the Phoebe Regio (V-41) and Tellus Tessera (V-10) Quadrangles; Geologic Mapping of the Devana Chasma (V-29) Quadrangle, Venus; Geologic Mapping of the Aristarchus Plateau Region on the Moon; Geologic Mapping of the Lunar South Pole Quadrangle (LQ-30); The Pilot Lunar Geologic Mapping Project: Summary Results and Recommendations from the Copernicus Quadrangle; Geologic Mapping of the Nili Fossae Region of Mars: MTM Quadrangles 20287, 20282, 25287, 25282, 30287, and 30282; Geologic Mapping of the Mawrth Vallis Region, Mars: MTM Quadrangles 25022, 25017, 25012, 20022, 20017, and 20012; Evidence for an Ancient Buried Landscape on the NW Rim of Hellas Basin, Mars; New Geologic Map of the Argyre Region of Mars: Deciphering the Geologic History Through Mars Global Surveyor, Mars Odyssey, and Mars Express Data; Geologic Mapping in the Hesperia Planum Region of Mars; Geologic Mapping of the Meridiani Region of Mars; Geologic Mapping in Southern Margaritifer Terra; Geology of -30247, -35247, and -40247 Quadrangles, Southern Hesperia Planum, Mars; The Interaction of Impact Melt, Impact-Derived Sediment, and Volatiles at Crater Tooting, Mars; Geologic Map of the Olympia Cavi Region of Mars (MTM 85200): A Summary of Tactical Approaches; Geology of the Terra Cimmeria-Utopia Planitia Highland Lowland Transitional Zone: Final Technical Approach and Scientific Results; Geology of Libya Montes and the Interbasin Plains of Northern Tyrrhena Terra, Mars: First Year Results and Second Year Work Plan; Mars Global Geologic Mapping Progress and Suggested Geographic-Based Hierarchal Systems for Unit Grouping and Naming; Progress in the Scandia Region Geologic Map of Mars; Geomorphic Mapping of MTMS -20022 and -20017; Geologic Mapping of the Medusae Fossae Formation, Mars, and the Northern Lowland Plains, Venus; Volcanism on Io: Results from Global Geologic Mapping; Employing Geodatabases for Planetary Mapping Conduct - Requirements, Concepts and Solutions; and Planetary Geologic Mapping Handbook - 2010.

Bleamaster, Leslie F., III↗
NASA NTRS2010

Geologic Mapping of the Devana Chasma (V-29) Quadrangle, Venus

The Devana Chasma quadrangle (V-29; 0-25degN/270-300degE) is situated over the northeastern apex of the Beta-Atla-Themis (BAT) province and includes the southern half of Beta Regio, the northern and transitional segments of the Devana Chasma complex, the northern reaches of Phoebe Regio, Hyndla Regio, and Nedolya Tesserae, and several smaller volcano-tectonic centers and impact craters.

Tandberg, E. R.↗
NASA NTRS1993

Cassini 1997 VVEJGA Trajectory Launch/Arrival Space Analysis

The baseline trajectory for the Cassini mission to Saturn is an Oct. 1997 VVEJGA (Venus-Venus-Earth-Jupiter-Gravity-Assist) trajectory. The current choice for an arrival date, June 25, 2004, provides a rare Phoebe flyby opportunity. The goal of this analysis is to determine the optimal feasible trajectory for any launch/arrival date combination.

Cassini↗
NASA NTRS2002

Geological interpretations of the topography of selected regions of Venus from Arecibo to Goldstone radar interferometry

We report on the geological interpretation of the mapping analysis of several successful radar experiments, which are part of a program to generate a high resolution digital elevation model (DEM) of the equatorial region of Venus between Phoebe Regio and far western Ovda Regio. These experiments used radar interferometry with Arecibo transmitting and Goldstone receiving.

Venus↗
DOE OSTI2025

Functional Relevance of CASP16 Nucleic Acid Predictions as Evaluated by Structure Providers

ABSTRACT Accurate biomolecular structure prediction enables the prediction of mutational effects, the speculation of function based on predicted structural homology, the analysis of ligand binding modes, experimental model building, and many other applications. Such algorithms to predict essential functional and structural features remain out of reach for biomolecular complexes containing nucleic acids. Here, we report a quantitative and qualitative evaluation of nucleic acid structures for the CASP16 blind prediction challenge by 12 of the experimental groups who provided nucleic acid targets. Blind predictions accurately model secondary structure and some aspects of tertiary structure, including reasonable global folds for some complex RNAs; however, predictions often lack accuracy in the regions of highest functional importance. All models have inaccuracies in non‐canonical regions where, for example, the nucleic‐acid backbone bends, deviating from an A‐form helix geometry, or a base forms a non‐standard hydrogen bond (not a Watson‐Crick base pair). These bends and non‐canonical interactions are integral to forming functionally important regions such as RNA enzymatic active sites. Additionally, the modeling of conserved and functional interfaces between nucleic acids and ligands, proteins, or other nucleic acids remains poor. For some targets, the experimental structures may not represent the only structure the biomolecular complex occupies in solution or in its functional life cycle, posing a future challenge for the community.

Biochemistry & Molecular Biology↗
DOE OSTI2025

Techno-economic assessment of distributed wellhead RO water treatment for nitrate removal and salinity reduction: A field study in small disadvantaged communities

Techno-economic analysis of distributed wellhead water treatment and desalination (DWTD) systems was carried out based on a three-year field study in three small, disadvantaged communities (DACs) to evaluate the reliability and affordability of upgrading their impaired well water. The local water supplies of the three study DACs, located in Salinas Valley, California, were contaminated with nitrate at levels (~ 12–87 mg/L NO$^{-}_{3}$ - N) ) above the California maximum contaminant level (MCL) of 10 mg/L NO$^{-}_{3}$ - N , and had elevated water salinity (~600–1,600 mg/L total dissolved solids(TDS)) above its secondary MCL (SMCL) of 500 mg/L TDS. Well water nitrate removal and salinity reduction were accomplished via reverse osmosis (RO) based DWTD systems that operated autonomously, supported by remote monitoring and supervisory cyberinfrastructure. Reliable DWTD operation provided treated water quality, with respect to nitrate and salinity, in the range of 0.5–6.3 mg/L NO$^{-}_{3}$ - N and 57–161 mg/L TDS, respectively, which were well below the respective MCL and SMCL. The levelized cost of water treatment was in the range of ~$$2/m 3 - $$2.9/m 3 which aligns with typical residential water costs in California and in the study region, and monthly residential water costs (39 dollars-74 dollars/residential unit/month) were also within the range in California. The study showcased the DWTD approach as a viable and potentially scalable solution for upgrading impaired local potable water supply of communities lacking centralized water delivery infrastructure. However, streamlined permitting processes and standardized regulatory frameworks are critical to promoting wider adoption and maximizing the socio-economic benefits of the DWT approach. Moreover, DACs are likely to require government subsidies in order to cover the CapEx of DWTD systems in addition to upgrade of site infrastructure.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

Stabilizing Ru-Formyl CO 2 Reduction Intermediates by Formation of Lewis Acid–Base Adducts: A Combined 2DIR and NMR Study

This work demonstrates how the stability of a Ru(II) formyl complex (cis-[Ru(bpy) 2 (CO)(CHO)][PF 6 ]), which is known to decarbonylate to form the metal hydride complex, is greatly enhanced by the addition of a Lewis acidic cation (Li + or Mg 2+ ). Multinuclear NMR is used to measure equilibrium constants of adduct formation, and then ultrafast 2DIR spectroscopy is applied to determine how the electronic structure and local molecular dynamics change upon complexation of the formyl ligand with the Lewis acid. We attribute the stabilization of the complex to the formation of a carbene-like structure where the bond strength between the Ru and the formyl group increases. The change in electronic structure is evidenced by steady-state NMR spectroscopy and DFT calculations. 2DIR measurements further confirm both the complexation of the formyl ligand with the Lewis acid and the change in electronic structure, where changes in vibrational frequency, relaxation kinetics, and a slowdown in the time scale of rotation about the metal-formyl bond are observed in the presence of Lewis acids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗