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At least 145 records · Page 8
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NASA NTRS1986

Resonance ionization mass spectrometry for isotopic abundance measurements

Resonance ionization mass spectrometry (RIMS) is a relatively new laser-based technique for the determination of isotopic abundances. The resonance ionization process depends upon the stepwise absorption of photons from the laser, promoting atoms of the element of interest through progressively higher electronic states until an ion is formed. Sensitivity arises from the efficiency of the resonant absorption process when coupled with the power available from commercial laser sources. Selectivity derives naturally from the distinct electronic structure of different elements. This isobaric discrimination has provided the major impetus for development of the technique. Resonance ionization mass spectrometry was used for analysis of the isotopic abundances of the rare earth lutetium. Isobaric interferences from ytterbium severely effect the ability to measure small amounts of the neutron-deficient Lu isotopes by conventional mass spectrometric techniques. Resonance ionization for lutetium is performed using a continuous-wave laser operating at 452 nm, through a sequential two-photon process, with one photon exciting the intermediate resonance and the second photon causing ionization. Ion yields for microgram-sized quantities of lutetium lie between 10(6) and 10(7) ions per second, at overall ionization efficiencies approaching 10(-4). Discrimination factors against ytterbium greater than 10(6) have been measured. Resonance ionization for technetium is also being explored, again in response to an isobaric interference, molybdenum. Because of the relatively high ionization potential for Tc, three-photon, two-color RIMS processes are being developed.

Miller, C. M.↗
NASA NTRS1985

Solar coronal and photospheric abundances from solar energetic particle measurements

Solar energetic particle (SEP) elemental abundance data from the cosmic ray subsystem (CRS) aboard the Voyager 1 and 2 spacecraft are used to derive unfractionated coronal and photospheric abundances for elements with Z = 6-30. It is found that the ionic charge-to-mass ratio (Q/M) is the principal organizing parameter for the fractionation of SEPs by acceleration and propagation processes and for flare-to-flare variability, making possible a single-parameter Q/M-dependent correction to the average SEP abundances to obtain unfractionated coronal abundances. A further correction based on first ionization potential allows the determination of unfractionated photospheric abundances.

Breneman, H. H.↗
NASA NTRS1986

Theoretical dissociation energies for the alkali and alkaline-earth monofluorides and monochlorides

Spectroscopic parameters are accurately determined for the alkali and alkaline-earth monofluorides and monochlorides by means of ab initio self-consistent field and correlated wave function calculations. Numerical Hartree-Fock calculations are performed on selected systems to ensure that the extended Slater basis sets employed are near the Hartree-Fock limit. Since the bonding is predominantly electrostatic in origin, a strong correlation exists between the dissociation energy (to ions) and the spectroscopic parameter r(e). By dissociating to the ionic limits, most of the differential correlation effects can be embedded in the accurate experimental electron affinities and ionization potentials.

Langhoff, S. R.↗
NASA NTRS1986

The composition of solar energetic particles

The present measurements of elemental abundances in 15 large solar energetic particle events confirm the existence of two major effects: systematic differences between solar energetic particle abundances and photospheric abundances that are approximately correlated with first ionization potential (implying that the solar corona is the likely source population for these particles), and an enhancement of heavy ion abundances relative to a baseline of solar energetic particle abundances whose magnitude increases with rising atomic number. These data suggest the possibility that the degree of heavy ion enhancement has some correlation with spectral slope, and confirm that the aforementioned effects are not due to time or energy variations within individual events. The maximum column density above the solar acceleration region is less than 0.1 g/sq cm, on the basis of these data.

Mcguire, R. E.↗
NASA NTRS1986

Ab initio calculations on the positive ions of the alkaline-earth oxides, fluorides, and hydroxides

Theoretical dissociation energies are presented for the alkaline-earth fluoride, hydroxide, and oxide positive ions that are considered to be accurate to 0.1-0.2 eV. The r(e) for the positive ions are found to be consistently shorter than the corresponding neutrals by 0.07 + or -0.02 A. The bonding in the ground states is demonstrated to be of predominantly M + 2 X - character. The a 3 Pi and A 1 Pi are found to lie considerably above the X 1 Sigma + ground states of the alkaline-earth fluoride and hydroxide positive ions. The overall agreement of the theoretical ionization potentials with the available experimental appearance potentials is satisfactory; these values should represent the most accurate and consistent set available.

Partridge, H.↗
NASA NTRS1986

Quantitative VUV spectroscopy of Cl2

The photoabsorption and fluorescence cross sections of Cl2 were measured in the 105-145 nm region using synchrotron radiation as a light source. The oscillator strengths for the major absorption bands were calculated from the measured absorption cross sections. The measured oscillator strengths for the 2 3Pi u and 2 1Pi u - X 1Sigma(+)g transitions agree quite well with the theoretical values. The absorption spectrum was analyzed in accord with the excited electronic states calculated by Peyerimhoff and Buenker (1981). The Rydberg series converging to the first and second ionization potentials were classified. The vibrational levels of the 2 1Sigma(+)u ionic state were determined up to v prime = 15 from the fluorescence excitation spectrum. It was observed that a band with peak at 108.3 nm produces VUV fluorescence, but it produces UV fluorescence only by a collisional excitation process.

Lee, L. C.↗
NASA NTRS1986

Stability and structure of metal clusters - Be(13) and Be(55)

Face-centered cubic (fcc) and hexagonally close-packed (hcp) structures are compared for Be(13) and Be(55) clusters. Both Be(13) and Be(55) prefer the fcc structure over the bulk hcp structure, but the energy difference per atom decreases for Be(55) relative to Be(13). The binding energy per atom, 1.3 eV for Be(55) and 0.8-0.9 eV for Be(13), reflects the greater total number of bonds in the larger cluster rather than a difference in bonding. The energies per bond are much more similar, in the range of 0.30-0.34 eV for both clusters. The size of the p-basis set used influences both stability and ionization potentials strongly.

Pettersson, Lars G. M.↗
NASA NTRS1986

On the energy resolution obtained with a multistep proportional counter

Results of laboratory experiments with a standard multiwire imaging proportional counter (MWPC), modified to include a parallel grid preamplification stage are presented. Both argon and xenon were used as the primary absorbing gas in conjunction with a number of quench gases. It is found that extremely good energy resolution is obtained from the preamplification stage, almost independent of the ionization potential of the quench gas and over a broad range of gains. Furthermore, regardless of absorbing gas or quench agent, there was no difficulty in transferring a portion of this preamplified charge to the MWPC section for multistep mode operation. Finally, even for overall system gains greater than 10,000, the energy resolution from the second stage is found to be significantly improved, as long as the preamplification stage is operating. These results should have wide application and are of special interest for X-ray astronomy.

Ramsey, B. D.↗
NASA NTRS1987

Ultraviolet spectral morphology of the O stars. IV - The OB supergiant sequence

An atlas of 25 O3-B8 supergiant spectra in the wavelength ranges 1320-1580 A and 1620-1880 A is presented, based on high-resolution data from the IUE archives. The remarkably detailed relationship between the stellar-wind profiles and the optical spectral classifications throughout this sequence is emphasized. For instance, the (Si IV)/(C IV) ratio reverses between O4 and O6.5; and the B0, B0.5, and B0.7 Ia wind characteristics are each qualitatively unique and distinct from one another. The systematic behavior of nine stellar-wind features with ionization potentials ranging from 114 to 19 eV is summarized as a function of advancing spectral type.

Walborn, Nolan R.↗
NASA NTRS1987

Full CI benchmark calculations for several states of the same symmetry

Full CI (FCI) wave functions are used to compute energies for several electronic states of the same symmetry for SiH2, CH2, and CH2(+). It is found that CASSCF/multireference CI wave functions yield results very similar to FCI, irrespective of whether the CASSCF MOs are optimized independently for each state or using an average of the CASSCF energies for all desired states. The ionization potentials and excitation energies obtained from the FCI calculations should help calibrate methods (such as Green's function approaches, equations of motion and propagator methods, and cluster expansions) in which energy differences are computed directly.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1987

The composition of Galactic cosmic rays and solar energetic particles

The progress made by U.S. researchers during 1983-1986 in studies on the composition of the Galactic cosmic-ray source (GCRS) and solar energetic particles (SEP) is reviewed. New information concerning element abundances in GCRS (obtained from HEAO-3 data) and SEP composition in large flares and (He-3)-rich events (from data obtained by the Voyager and ISEE spacecraft) was used to obtain direct correlation between the GCRS and SEP compositions. For elements heavier than He, the linear correlation coefficient beween the points was 0.96, and the slope of the least-squares fit line was found to be 1.01 + or - 0.01. Hydrogen and helium are more abundant in the SEP than in the GCRS. The close resemblance between the SEP composition and the GCRS composition means that the ratio of SEP abundances to solar-system abundances shows a correlation with the first ionization potential.

Mason, G. M.↗
NASA NTRS1987

On the 1A1 - 3B1 separation in CH2 and SiH2

The 1A1 - 3B1 separation in CH2 and SiH2 has been computed using extended basis sets and CASSCF/SOCI wave functions. Using theoretical estimates for the effects of zero-point vibration yields T(0) values of 8.9 and -20.9 kcal/mol respectively, in excellent agreement with the experimental values of 9.02 and -21.0 kcal/mol. A corollary to the small zero-point vibrational contribution to the separation is that the symmetric stretching fundamental in CH2(3B1) must be near 3100/cm, much less than a recently suggested value of around 3400/cm. An accurate Te value for SiH2 establishes the ionization potential of the 1A1 state as 9.15 eV, the higher of two recent experimental values.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1988

Nuclear emission-line intensities and profiles in NGC 3783

High-resolution optical spectrophotometry is presented for the nucleus of the Seyfert 1 galaxy NGC 3783. The data suggest that the broadest components of the forbidden lines have blueshifts relative to systemic velocity which are correlated primarily with ionization potential, and FWHMs which are correlated primarily with criticl density. Similar trends also exist in the line components responsible for the larger part of the line emission, but are not as strong as for the broadest line components. Comparison of the profiles of the Balmer lines indicates that the Balmer decrement measured from the H-beta/H-alpha ratio flattens in the line wings. However, the H-gamma and H-delta line profiles are more similar to the H-alpha line profile than to the H-beta line profile, suggesting that the H-beta profile may be anomalous.

Evans, I. N.↗
NASA NTRS1988

Absorption spectra of Fe I in the 1550-3215-A region

The high-dispersion absorption spectrum of Fe I is reported in the 1550-3215-A region. Included are wavelengths of about 3000 observed spectral features, improved spectral assignments, 248 new energy levels, and a value for the ionization potential of 63 737/cm obtained from extrapolation of Rydberg series. Improved wavelengths for several hundred V I and Ti I spectral lines determined on the same spectrograms as the iron data also are presented.

Brown, C. M.↗
NASA NTRS1989

Penning gas mixtures for improving the energy resolution of proportional counters

An experimental investigation of the Penning effect in both argon and xenon has been carried out with a variety of quench gases of different ionization potentials. Acetylene with argon and trimethylamine with xenon show the strongest true Penning effect, returning very high gas gains for a given voltage and improved energy resolution over more conventional mixtures. Data for these mixtures, as well as others exhibiting weaker metastable effects, nonmetastable Penning effects, and charge transfer through photoionization, are presented.

Agrawal, P. C.↗
NASA NTRS1990

Role of the methylene amidogen (H2CN) radical in the atmospheres of Titan and Jupiter

The methylene amidogen (H2CN) radical can be shown to be an important intermediate in models for the formation of HCN (via N + CH3) and the recombination of H to H2 (via H + HCN) on Titan as well as in models for the formation of HCN (via NH2 + C2H3) in the atmosphere of Jupiter. Experiments in our laboratory in a discharge flow system with mass spectrometric detection of both reactants and products have established that the major product channel (90 percent for the reaction N + CH3 is that leading to H2CN + H. The same result was obtained for N + CD3 yields D2CN + D. The rate constant for the reaction D + D2CN yields DCN + D2 was measured for the first time and k(298 K) greater than 7 x 10(exp -11) cu cm/s was found. The same result was obtained for the H atom reaction. This is the final step in the reaction sequence leading to HCN on both Titan and Jupiter and to formation of H2 from H on Titan. The first measurement of the ionization potentials for H2CN and D2CN was also made. From electron impact studies I.P. = (9.6 + or - 1.0) eV was obtained for both radicals. An upperlimit of I.P. less than 11.6 eV came from observations of the H2CN radical by photoionization mass spectrometry using an Ar resonance lamp (106.7 nm). Further photoionization experiments are planned using synchrotron radiation plus monochromator as a tunable vacuum UV light source.

Nesbitt, F. L.↗
NASA NTRS1989

Abundances of ultraheavy elements in the cosmic radiation - Results from HEAO 3

An analysis is presented that, for the first time, systematically normalizes the data from the HEAO 3 heavy nuclei experiment on the cosmic-ray abundances of all the elements heavier than germanium to that of iron. In the range of atomic number Z from 33 to 60, the analysis yields abundances of odd-even element pairs. The abundances are consistent with a cosmic-ray source having a composition similar to that of the solar system, but subject to source fractionation correlated with the first ionization potential (FIP) of each element. For Z greater than 60, the analysis yields abundances of element groups. For these heaviest nuclei, we find an enhancement of the abundance of the platinum group, elements with Z of 74-80, relative to that in propagated solar system source, and a corresponding increase in the abundance of the largely secondary elements in the 62-73 range. These abundances suggest that there is an enhancement of the r-process contribution to the source nuclei in the Z greater than 60 charge region. Over the entire region of charge, standard leaky box models of propagation satisfactorily model secondary production.

Binns, W. R.↗
NASA NTRS1990

The source charge and isotopic abundances of cosmic rays with Z = 9-16 - A study using new fragmentation cross sections

The cosmic ray source charge and isotopic abundances for charges with Z = 9-16 are reexamined using newly measured fragmentation cross sections in a standard Galactic propagation model. Compared with earlier studies, the cosmic-ray data are now consistent with no excess of Si-29 and Si-30 in the source relative to the solar coronal abundances. The excess of Mg-25 and Mg-26 is now about 1 sigma or less relative to solar coronal isotopic abundances, leaving Ne-22 as the only clearly established neutron-rich isotopic excess in the cosmic ray source. Better estimates of the source abundances of elements obtained using the new cross sections permit the conclusion that high first ionization potential (FIP) elements have a wide spread of compositional differences in the cosmic-ray source relative to solar coronal abundances, whereas elements with a low FIP have a composition similar to the solar corona.

Webber, W. R.↗