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At least 991 records · Page 55

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NASA NTRS1996

The Interference of the Dynamically Squeezed Vibrational Wave Packets

An electronic excitation of a molecule by a sequence of two femtosecond phase-locked laser pulses is considered. In this case the interference between the vibrational wave packets induced by each of the subpulses within a single molecule takes place. It is shown that due to the dynamical squeezing effect of a molecular vibrational state the interference of the vibrational wave packets allows one to measure the duration of a femtosecond laser pulse. This can be achieved experimentally by measuring the dependence of the integral fluorescence of the excited molecule on the delay time between the subpulses. The interference can lead to a sharp peak (or to a down-fall) in that dependence, the width of which is equal to the duration of the laser pulse. It is shown that finite temperature of the medium is favorable for such an experiment.

Vinogradov, An. V.↗

NASA NTRS2000

Process of changing the refractive index of a composite containing a polymer and a compound having large dipole moment and polarizability and applications thereof

Fused ring bridge, ring locked dyes that form thermally stable photorfractive compositions. The fused ring bridge structures are .pi.-conjugated bonds in benzene-, naphthalene- or anthracene-derived fused ring systems that connect donor and acceptor groups. The donor and acceptor groups contribute to a high molecular dipole moment and linear polarizability anisotropy. The polarization characteristics of the dye molecules are stabilized since the bonds in the fused ring bridge are not susceptible to rotation, reducing the opportunity for photoisomerization. The dyes are compatible with polymeric compositions, including thermoplastics. The dyes are electrically neutral but have charge transport, electronic and orientational properties such that upon illumination of a composition containing the dye, the dye facilitates refractive index modulation and a photorefractive effect that can be utilized advantageously in numerous applications such as in optical quality devices and biological imaging.

Marder, Seth R.↗

NASA NTRS2002

Thermally stable molecules with large dipole moments and polarizabilities and applications thereof

Disclosed are fused ring bridge, ring-locked dyes that form thermally stable photorefractive compositions. The fused ring bridge structures are .pi.-conjugated bonds in benzene-, naphthalene- or anthracene-derived fused ring systems that connect donor and acceptor groups. The donor and acceptor groups contribute to a high molecular dipole moment and linear polarizability anisotropy. The polarization characteristics of the dye molecules are stabilized since the bonds in the fused ring bridge are not susceptible to rotation, reducing the opportunity for photoisomerization. The dyes are compatible with polymeric compositions, including thermoplastics. The dyes are electrically neutral but have charge transport, electronic and orientational properties such that upon illumination of a composition containing the dye, the dye facilitates refractive index modulation and a photorefractive effect that can be utilized advantageously in numerous applications such as in optical quality devices and biological imaging.

Marder, Seth R.↗

NASA NTRS1975

Molecular hydrogen in the galaxy and galactic gamma rays

Recent surveys of 2.6 mm CO emission and 100 MeV gamma-radiation in the galactic plane reveal a striking correlation suggesting that both emissions may be primarily proportional to the line-of-sight column density of H2 in the inner galaxy. Both the gamma ray and CO data suggest a prominent ring or arm consisting of cool clouds of H2 at a galactocentric distance of approximately 5 kpc with a mean density of approximately 4 atoms/cu cm. The importance of H2 in understanding galactic gamma ray observations is also reflected in the correlation of galactic latitude distribution of gamma rays and dense dust clouds. A detailed calculation of the gamma ray flux distribution in the 0 deg to 180 deg range using the CO data to obtain the average distribution of molecular clouds in the galaxy shows that most of the enhancement in the inner galaxy is due to pion-decay radiation and the 5 kpc ring plays a major role. Detailed agreement with the gamma ray data is obtained with the additional inclusion of contributions from bremsstrahlung and Compton radiation of secondary electrons and Compton radiation from the intense radiation field near the galactic center.

Stecker, F. W.↗

NASA NTRS1999

Carbon Nanotubules: Building Blocks for Nanometer-Scale Engineering

The proposed work consisted of two projects: the investigation of fluid permeation and diffusion through ultrafiltration membranes composed of carbon nanotubules and the design and study of molecular transistors composed of nanotubules. The progress made on each project is summarized and also discussion about additional projects, one of which is a continuation of work supported by another grant, is included. The first project was Liquid Interactions within a Nanotubule Membrane. The second was the design of nanometer-scale hydrocarbon electronic devices. The third was the investigation of Mechanical properties of Nanotubules and Nanotubule bundles. The fourth project was to investigate the growth mechanisms of Carbon Nanotubules.

Sinnott, Susan B.↗

NASA NTRS2001

Closed-Shell Polycyclic Aromatic Hydrocarbon Cations: A New Category of Interstellar Polycyclic Aromatic Hydrocarbons

Density functional theory has been employed to calculate the harmonic frequencies and intensities of a range of polycyclic aromatic hydrocarbon (PAH) cations that explore both size and electronic structure effects of the infrared spectroscopic properties of these species. The sample extends the size range of PAH species considered to more than 50 carbon atoms and includes several representatives from each of two heretofore unexplored categories of PAH cations: (1) fully benzenoid PAH cations whose carbon skeleton is composed of an odd number of carbon atoms (C(sub odd) PAHs); and (2) protonated PAH cations (HPAH+). Unlike the radical electronic structures of the PAH cations that have been the subject of previous theoretical and experimental work, the species in these two classes have a closed-shell electronic configuration. The calculated spectra of circumcoronene, C54H18 in both neutral and (radical) cationic form are also reported and compared with those of the other species. Overall, the C(sub odd) PAHs spectra are dominated by strong CC stretching modes near 1600 cm(exp -1) and display spectra that are remarkably insensitive to molecular size. The HPAH+ species evince a more complex spectrum consistent with the added contributions of aliphatic modes and their generally lower symmetry. Finally, for both classes of closed-shell cations, the intensity of the aromatic CH stretching modes is found to increase with molecular size far out of proportion with the number of CH groups, approaching a value more typical of neutral PAHs for the largest species studied.

Hudgins, Douglas M.↗

NASA NTRS2016

Comparison of Quantum Mechanical and Empirical Potential Energy Surfaces and Computed Rate Coefficients for N2 Dissociation

Comparisons are made between potential energy surfaces (PES) for N2 + N and N2 + N2 collisions and between rate coefficients for N2 dissociation that were computed using the quasiclassical trajectory method (QCT) on these PESs. For N2 + N we compare the Laganas empirical LEPS surface with one from NASA Ames Research Center based on ab initio quantum chemistry calculations. For N2 + N2 we compare two ab initio PESs (from NASA Ames and from the University of Minnesota). These use different methods for computing the ground state electronic energy for N4, but give similar results. Thermal N2 dissociation rate coefficients, for the 10,000K-30,000K temperature range, have been computed using each PES and the results are in excellent agreement. Quasi-stationary state (QSS) rate coefficients using both PESs have been computed at these temperatures using the Direct Molecular Simulation of Schwartentruber and coworkers. The QSS rate coefficients are up to a factor of 5 lower than the thermal ones and the thermal and QSS values bracket the results of shock-tube experiments. We conclude that the combination of ab initio quantum chemistry PESs and QCT calculations provides an attractive approach for the determination of accurate high-temperature rate coefficients for use in aerothermodynamics modeling.

quasiclassical trajectory method↗

NASA NTRS2015

NASA Applications of Molecular Adsorber Coatings

The Molecular Adsorber Coating (MAC) is a new, innovative technology that was developed to reduce the risk of molecular contamination on spaceflight applications. Outgassing from materials, such as plastics, adhesives, lubricants, silicones, epoxies, and potting compounds, pose a significant threat to the spacecraft and the lifetime of missions. As a coating made of highly porous inorganic materials, MAC offers impressive adsorptive capabilities that help capture and trap contaminants. Past research efforts have demonstrated the coating's promising adhesion performance, optical properties, acoustic durability, and thermal stability. These results advocate its use near or on surfaces that are targeted by outgassed materials, such as internal optics, electronics, detectors, baffles, sensitive instruments, thermal control coatings, and vacuum chamber test environments. The MAC technology has significantly progressed in development over the recent years. This presentation summarizes the many NASA spaceflight applications of MAC and how the coatings technology has been integrated as a mitigation tool for outgassed contaminants. For example, this sprayable paint technology has been beneficial for use in various vacuum chambers for contamination control and hardware bake-outs. The coating has also been used in small instrument cavities within spaceflight instrument for NASA missions.

molecular contaimination↗

NASA NTRS1987

Vibrationally excited molecular hydrogen in the upper atmosphere of Jupiter

A comprehensive theoretical model for vibrationally excited H2 in the upper atmosphere of Jupiter is presented. Theoretical calculations demonstrate the probable existence of significantly enhanced populations of vibrationally excited H2 in the Jovian upper atmosphere, especially in the auroral regions. It is also shown that this H2 is an important chemical sink of H(+) ions in the Jovian ionosphere and thus has a significant effect on the calculated ionospheric electron densities.

Cravens, T. E.↗

NASA NTRS1973

Incompatibility of solar EUV fluxes and incoherent scatter measurements at Arecibo.

Photoionization rates have been calculated from recent solar EUV flux measurements and are compared with the electron-ion recombination rates estimated from electron density profiles and current reaction rates. These photoionization rates also provided the first step in calculating the photoelectron heating rates of the ambient electrons, which are compared with the cooling rates deduced from ion and electron temperature measurements at Arecibo. The effects of changes in the assumed neutral models, the rate coefficients, and the temperature measurements are discussed. Comparisons of the profiles of energy input and loss with similar profiles of ion production and recombination suggest that the solar EUV fluxes have been underestimated. These comparisons also imply lower molecular neutral densities in winter than in summer.

Swartz, W. E.↗

NASA NTRS1974

Model calculations for diffuse molecular clouds

A steady state isobaric cloud model is developed. The pressure, thermal, electrical, and chemical balance equations are solved simultaneously with a simple one dimensional approximation to the equation of radiative transfer appropriate to diffuse clouds. Cooling is mainly by CII fine structure transitions, and a variety of heating mechanisms are considered. Particular attention is given to the abundance variation of H2. Inhomogeneous density distributions are obtained because of the attenuation of the interstellar UV field and the conversion from atomic to molecular hyrodgen. The effects of changing the model parameters are described and the applicability of the model to OAO-3 observations is discussed. Good qualitative agreement with the fractional H2 abundance determinations has been obtained. The observed kinetic temperatures near 80 K can also be achieved by grain photoelectron heating. The problem of the electron density is solved taking special account of the various hydrogen ions as well as heavier ones.

Glassgold, A. E.↗

NASA NTRS1984

Energetics of the protonation of CO - Implications for the observation of HOC(+) in dense interstellar clouds

A number of molecular species on the H3CO(+) energy hypersurface is examined. Ab initio molecular orbital theory is used to determine the structures and relative energetics of the two isomers of HCO(+) and HOC(+) together with the affinity of CO for protonation at either end. The proton affinities of H2 and H2CO are also examined. The calculations are performed using large basis sets and include the effects of electron correlation. The calculated vibrational frequencies are used to correct for zero point energy differences. The results show that the proton affinities of H2 and CO to form HOC(+) are within 1 kcal of each other. The calculations demonstrate that there is no thermodynamic driving force to form HOC(+) in collisions of H3(+) with CO, and that the formation of HCO(+) in such collisions is very exoergic. A plausible mechanism is suggested to explain the differences observed between the laboratory and the interstellar medium.

Dixon, D.↗

NASA NTRS1988

Molecular beam epitaxy and metalorganic chemical vapor deposition growth of epitaxial CdTe on (100) GaAs/Si and (111) GaAs/Si substrates

Epitaxial CdTe has been grown on both (100)GaAs/Si and (111)GaAs/Si substrates. A combination of molecular beam epitaxy (MBE) and metalorganic chemical vapor deposition (MOCVD) has been employed for the first time to achieve this growth: the GaAs layers are grown on Si substrates by MBE and the CdTe film is subsequently deposited on GaAs/Si by MOCVD. The grown layers have been characterized by X-ray diffraction, scanning electron microscopy, and photoluminescence.

Nouhi, A.↗

NASA NTRS1989

Red fluorescence and 3-12 micron emission in NGC 2023, HD 44179, M 82, and Lynds 1780

A red excess observed in the Red Rectangle (HD 44179), was attributed to a possible molecular fluorescence mechanism was discovered in NGC 2023 and analyzed in subsequent work in this and other nebulae. An unexpected red light excess was also noticed in a high latitude dark cloud L 1780. The fluorescence was attributed to hydrogenated amorphous carbon by Duley (1985), on the basis of laboratory work. Alternatively, transitions between electronic states of free polycyclic aromatic hydrocarbon molecules, by-passing the cascade along the vibrational states was considered. In L 1780, the red excess was related to the 12 micron emission detected by IRAS. A quantitative comparison of the intensity of the red fluorescence and that of the 3 to 12 micron features is thus warranted in helping assess the physical properties of large interstellar molecules. The red fluorescence radiation, F(R), appears as a bump on the spectra between 0.6 and 0.9 micron. Values were deduced from the spectra for HD 44179, and for the high latitude cloud L 1780. Corrections for the extinction, both interstellar and internal to the nebulae, were included. The 3 to 12 micron brightness, F(IR), was obtained through integration of the spectra for NGC 2023, and for HD 44179 after removal of a smooth continuum due to hot large grains. The values of the ratio of fluorescence flux to the infrared flux, F(R)/F(IR), are summarized. Red fluorescence and infrared radiation are two separate ways to access to the size of the molecules through observation, and it is rewarding that both approaches give similar results. These findings bring a striking coherence into the physical description of the particles, and add further support to the initial attribution of the infrared features to polycyclic aromatic hydrocarbons (PAHs).

Ryter, Charles↗

NASA NTRS2003

Complex Organics from Laboratory Simulated Interstellar Ices

Many of the volatiles in interstellar dense clouds exist in ices surrounding dust grains. The low temperatures of these ices (T < 50 K) preclude most chemical reactions, but photolysis can drive reactions that produce a suite of new species, many of which are complex organics. We study the UV and proton radiation processing of interstellar ice analogs to explore links between interstellar chemistry, the organics in comets and meteorites, and the origin of life on Earth. The high D/H ratios in some interstellar species, and the knowledge that many of the organics in primitive meteorites are D-enriched, suggest that such links are plausible. Once identified, these species may serve as markers of interstellar heritage of cometary dust and meteorites. Of particular interest are our findings that UV photolysis of interstellar ice analogs produce molecules of importance in current living organisms, including quinones, amphiphiles, and amino acids. Quinones are essential in vital metabolic roles such as electron transport. Studies show that quinones should be made wherever polycyclic aromatic hydrocarbons are photolyzed in interstellar ices. In the case of anthracene-containing ices, we have observed the production of 9-anthrone and 9,10 anthraquinone, both of which have been observed in the Murchison meteorite. Amphiphiles are also made when mixed molecular ices are photolyzed. These amphiphiles self-assemble into fluorescent vesicles when placed in liquid water, as do Murchison extracts. Both have the ability to trap an ionic dye. Photolysis of plausible ices can also produce alanine, serine, and glycine as well as a number of small alcohols and amines. Flash heating of the room temperature residue generated by such experiments generates mass spectral distributions similar to those of IDPs. The detection of high D/H ratios in some interstellar molecular species, and the knowledge that many of the organics, such as hydroxy and amino acids, in primitive meteorites are D-enriched provides evidence for a connection between intact organic material in the interstellar medium and in meteorites. Thus, some of the oxidized aromatics, amphiphiles, amino acids, hydroxy acids, and other compounds found in meteorites may have had an interstellar ancestry and not solely a product of parent body aqueous alteration. Such compounds should also be targeted for searches of organics in cometary dust.

Dworkin, J. P.↗

NASA NTRS2002

Desulfonatronum paiuteum sp. nov.: A New Alkaliphilic, Sulfate-Reducing Bacterium, Isolated from Soda Mono Lake, California

A novel alkaliphilic, sulfate reducing bacterium strain MLF1(sup T) was isolated from sediments of soda Mono Lake, California. Gram-negative vibrion cells, motile by singular polar flagellum, with sizes 0.5 - 0.6x 1.2 - 2.0 micron occurred singly, in pairs or short spirilla. Growth was observed over the temperature range of +15 C to +48 C (optimum +37 C), NaCl concentration range is greater than 1 - 7 %, wt/vol (optimum 3 %, wt/vol) and pH range 7.8 - 10.5 (optimum pH 9.0 - 9.4). The novel isolate is strictly alkaliphilic, requires high carbonate concentration in medium, obligately anaerobic and catalase negative. As electron donors strain MLF1(sup T) uses hydrogen, formate, ethanol. Sulfate, sulfite, and thiosulfate (but not sulfur or nitrate) can be used as electron acceptors. The sole end product of growth on formate was H2S. Strain MLF1(sup T) is resistant to kanamycin and gentamycin, but sensitive to chloramphenicol and tetracycline. Na2MoO4 inhibits growth of strain MLF1(sup T). The sum of G+C in DNA is 63.1 mol% (by HPLC method). On the basis of physiological and molecular properties, the isolate was considered as novel species of genus Desulfonatronum; and the name Desulfonatronum paiuteum sp. nov., is proposed (type strain MLF1(sup T) = ATCC BAA-395(sup T) = DSMZ 14708(sup T).

Pikuta, Elena↗

NASA NTRS2009

Extraterrestrial Radiation Chemistry and Molecular Astronomy

Astronomical observations of both solar system and interstellar regions have revealed a rich chemical inventory that includes most classes of organic molecules and selected inorganics. For example, gas-phase ethylene glycol and SOz have been observed by astronomers, while solidphase detections include OCS, H2O2 , and the cyanate anion.' All of these are found in environments that are, by earthly standards, exceedingly hostile: temperatures of 10 - 100 K, miniscule densities, and near-ubiquitous ionizing-radiation fields. Beyond the simplest chemical species, these conditions have made it difficult-to-impassible to account for the observed molecular abundances using gas-phase chemistry, suggesting solid-phase reactions play an important role. In extraterrestrial environments, cosmic rays, UV photons, and magnetospheric radiation all drive chemical reactions, even at cryogenic temperatures. To study this chemistry, radiation astrochemists conduct experiments on icy materials, frozen under vacuum and exposed to sources such as keV electrons and MeV protons. Compositional changes usually are followed with IR spectroscopy and, in selected cases, more-sensitive mass-spectral techniques. This talk will review some recent results on known and suspected extraterrestrial molecules and ions. Spectra and reaction pathways will be presented, and predictions made for interstellar chemistry and the chemistry of selected solar system objects. Some past radiation-chemical contributions, and future needs, will be explored.

Hudson, Reggie L.↗

NASA NTRS1980

Vacuum applications of metal foams

Several vacuum applications of copper foams in the density range 2-5% and pore sizes of 0.5-0.7 mm are discussed, such as a foreline hydrocarbon trap in a mechanical vacuum pump, a molecular-flow resistor, a diffuser, and a water injector. Other suggested applications include the use of foam copper in the form of an externally heated plug to remove traces of oxygen from inert gases bled into a vacuum system through a stainless steel line and the use of the porous surface for minimizing release of secondary electrons from electrodes in the path of charged particle beams.

Kendall, B. R. F.↗