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1993

Chemistry

Series

Articles 1 - 14 of 14

Full-Text Articles in Physics

Neutron-Diffraction And Mössbauer-Effect Studies Of Pr₂(Fe₁₋ₓmnₓ)₁₄B, Oran Allan Pringle, Jie Fu, Gary J. Long, William Joseph James, Decai Xie, William B. Yelon, Fernande Grandjean Dec 1993

Neutron-Diffraction And Mössbauer-Effect Studies Of Pr₂(Fe₁₋ₓmnₓ)₁₄B, Oran Allan Pringle, Jie Fu, Gary J. Long, William Joseph James, Decai Xie, William B. Yelon, Fernande Grandjean

Physics Faculty Research & Creative Works

A neutron-diffraction investigation of a series of Pr2(Fe 1-xMnx)14B samples, with x values of 0.00, 0.11, 0.22, 0.30, and 0.35, reveals a preference for the manganese to occupy the 8j2 transition-metal site,the transition-metal site with the largest Wigner-Seitz cell volume. Similar site occupancies have been reported previously for Er2(Fe1-xMnx) 14B and Y2(Fe1-xMnx) 14B. An analysis of the 295-K Mössbauer spectrum of Pr2(Fe0.89Mn0.11)14B indicates that the internal hyperfine fields on the …

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Neutron-Diffraction And Mössbauer Effect Study Of The Preferential Silicon Site Occupation And Magnetic Structure Of Nd₂Fe₁₄₋ₓsiₓb, Gaya Kanishka Marasinghe, Oran Allan Pringle, Gary J. Long, William Joseph James, Dianne J. Xiao, J. L. Li, William B. Yelon, Fernande Grandjean Nov 1993

Neutron-Diffraction And Mössbauer Effect Study Of The Preferential Silicon Site Occupation And Magnetic Structure Of Nd₂Fe₁₄₋ₓsiₓb, Gaya Kanishka Marasinghe, Oran Allan Pringle, Gary J. Long, William Joseph James, Dianne J. Xiao, J. L. Li, William B. Yelon, Fernande Grandjean

Physics Faculty Research & Creative Works

A neutron-diffraction study of Nd2Fe14-xSixB has shown that silicon preferentially occupies the 4c site in the transition-metal sublattice in Nd2Fe14B. Silicon also exhibits a moderate preference for the 8j1 site, is almost excluded from the 16k2 site, and avoids the 16k1, 8j2, and 4e sites. The silicon site occupancy is correlated with a preference for a silicon atom to have rare-earth atoms in its coordination environment. The Mössbauer spectra of Nd2Fe14-xSixB have been fit with a model which …

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Observation Of Non-Isotropic Auger Angular Distribution In The C(1s) Shape Resonance Of Co, Oliver Hemmers, Franz Heiser, J. Eiben, R. Wehlitz, U. Becker Aug 1993

Observation Of Non-Isotropic Auger Angular Distribution In The C(1s) Shape Resonance Of Co, Oliver Hemmers, Franz Heiser, J. Eiben, R. Wehlitz, U. Becker

Environmental Studies Faculty Publications

Angle-resolved high-resolution C(KVV) Auger spectra of CO were taken in the vicinity of the C(1s) σ* shape resonance. These spectra show clear evidence for the theoretically predicted anisotropic K-shell Auger emission in molecules. Complementary results from angle-resolved photoion spectroscopy show that the small size of the observed effect is, besides the varying intrinsic anisotropy of the Auger decay, also due to a smaller anisotropy in the primary absorption process than originally predicted but in good agreement with more recent calculations. Contrary to this, satellite Auger transitions show unexpectedly large anisotropies.

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Orientational Phase Transition In Na_{X}C_{60} (1, T. Yildirim, J. E. Fischer, A. B. Harris, Peter W. Stephens, Dengfa Liu, Laurent Brard, Robert M. Strongin, Amos B. Smith Iii Aug 1993

Orientational Phase Transition In Na_{X}C_{60} (1, T. Yildirim, J. E. Fischer, A. B. Harris, Peter W. Stephens, Dengfa Liu, Laurent Brard, Robert M. Strongin, Amos B. Smith Iii

Chemistry Faculty Publications and Presentations

X-ray diffraction and calorimetry data on cubic NaxC60(1<x60, e.g., Tm(x=1.3)=325 K. The ordered phases are the same as in pure C60: simple cubic, space group Pa3¯, but the orientations in the disordered phase are more restricted. We explain how Na stabilizes the ordered phase to rather high T, while K and Rb do not, in terms of Coulomb interactions between C60 molecules and and Na ions which we calculate from the local charge density of C60.

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A Neutron Diffraction And Mössbauer Effect Study Of The Magnetic Properties Of Pr₂Fe₁₇ And Pr₂Fe₁₇N₂.₆, Gary J. Long, Oran Allan Pringle, Fernande Grandjean, William B. Yelon, K. H. Buschow Jul 1993

A Neutron Diffraction And Mössbauer Effect Study Of The Magnetic Properties Of Pr₂Fe₁₇ And Pr₂Fe₁₇N₂.₆, Gary J. Long, Oran Allan Pringle, Fernande Grandjean, William B. Yelon, K. H. Buschow

Chemistry Faculty Research & Creative Works

The neutron diffraction powder patterns of Pr2Fe17 and Pr2Fe17N2.6 have been measured at 295 K and refined within the Th2Zn17 structure type to give the structural changes which occur upon nitrogenation; changes which include a 6.4% expansion of the unit cell volume. The Mössbauer spectra of Pr 2Fe17 and Pr2Fe17N2.6 have been measured between 85 and 295 K and analyzed with a model which is based on the Wigner-Seitz cell environment of each iron site, the basal orientation of the magnetization, and …

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Existence Of High-Order Superlattices In Orientationally Ordered C_{60}, J. E. Fischer, D. E. Luzzi, K. Kniaź, A. R. Mcghie, D. A. Ricketts-Foot, W. R. Romanow, Gavin B. M. Vaughan, Dayin Li, Allan L. Smith, Robert M. Strongin, M. A. Cichy, Laurent Bard, Amos B. Smith Iii Jun 1993

Existence Of High-Order Superlattices In Orientationally Ordered C_{60}, J. E. Fischer, D. E. Luzzi, K. Kniaź, A. R. Mcghie, D. A. Ricketts-Foot, W. R. Romanow, Gavin B. M. Vaughan, Dayin Li, Allan L. Smith, Robert M. Strongin, M. A. Cichy, Laurent Bard, Amos B. Smith Iii

Chemistry Faculty Publications and Presentations

We correlate the presence or absence of high-order modulated structures in solid C60 with the differential scanning calorimetry signature of the orientational ordering transition and other diagnostic data. We have searched for, but not observed, the 2a face-centered cubic structure recently observed in low-temperature electron and single-crystal x-ray diffraction. We conclude that the intrinsic ground state is the previously reported simple cubic structure [space groupPa3¯, a(14 K)=14.06 Å], and that other structures may be stabilized by defects or impurities.

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Coherence Peak And Superconducting Energy Gap In Rb_{3}C_{60} Observed By Muon Spin Relaxation, R. F. Kiefl, W. A. Macfarlane, K. H. Chow, S. Dunsiger, T. L. Duty, T. M. S. Johnston, J. W. Schneider, J. Sonier, Laurent Brard, Robert M. Strongin, J. E. Fischer, Amos B. Smith Iii Jun 1993

Coherence Peak And Superconducting Energy Gap In Rb_{3}C_{60} Observed By Muon Spin Relaxation, R. F. Kiefl, W. A. Macfarlane, K. H. Chow, S. Dunsiger, T. L. Duty, T. M. S. Johnston, J. W. Schneider, J. Sonier, Laurent Brard, Robert M. Strongin, J. E. Fischer, Amos B. Smith Iii

Chemistry Faculty Publications and Presentations

Muon spin relaxation resulting from spin exchange scattering of endohedral muonium (μ+e-) with thermal electronic excitations has been observed in the fullerene superconductor Rb3C60. The temperature dependence of T1-1 shows a coherence peak just below Tc and can be fit to the conventional Hebel-Slichter theory for spin relaxation in a superconductor with a broadened BCS density of states. The average energy gap for electronic excitations, Δ/kB=53(4) K or 2Δ/ kBTc=3.6(3), is consistent with the BCS weak coupling limit.

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Unusual Thermal Stability Of A Site-Ordered Mc60 Rocksalt Structure (M=K, Rb, Or Cs), Q. Zhu, O. Zhou, J. E. Fischer, Andrew R. Mcghie, W. R. Romanow, Robert M. Strongin, M. A. Cichy, Amos B. Smith Iii May 1993

Unusual Thermal Stability Of A Site-Ordered Mc60 Rocksalt Structure (M=K, Rb, Or Cs), Q. Zhu, O. Zhou, J. E. Fischer, Andrew R. Mcghie, W. R. Romanow, Robert M. Strongin, M. A. Cichy, Amos B. Smith Iii

Chemistry Faculty Publications and Presentations

X-ray diffraction and differential scanning calorimetry of MxC60, with x∼1 and M=K, Rb, or Cs, reveal an unusual T-dependent phase sequence. A low-symmetry ground state is found, while the high-T limit is an ordered rocksalt structure in which only the octahedral sites are occupied. The unusual high-T stability of this ordered phase is attributed to the entropy of molecular orientational disorder and/or thermal disorder of the alkali-metal ions within the octahedral sites. Unique to KxC60 with x≥1.4, we find at intermediate temperatures an fcc site-disordered lattice gas …

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A Neutron Diffraction And Mössbauer Effect Study Of The Magnetic Structure Of Y₂(Fe₁₋ₓmnₓ)₁₄B, Gaya Kanishka Marasinghe, Oran Allan Pringle, Gary J. Long, William Joseph James, William B. Yelon, Fernande Grandjean May 1993

A Neutron Diffraction And Mössbauer Effect Study Of The Magnetic Structure Of Y₂(Fe₁₋ₓmnₓ)₁₄B, Gaya Kanishka Marasinghe, Oran Allan Pringle, Gary J. Long, William Joseph James, William B. Yelon, Fernande Grandjean

Physics Faculty Research & Creative Works

The magnetic structures of a series of Y2(Fe 1-xMnx)14B samples, with x equal to 0.03, 0.10, 0.25, and 0.37, have been studied by powder neutron diffraction and Mössbauer spectroscopy. Y2(Fe0.97Mn 0.03)14B and Y2(Fe0.9Mn 0.1)14B are ferromagnetic at both 295 and 85 K, Y 2(Fe0.63Mn0.37)14B is paramagnetic at both 295 and 85 K, whereas Y2(Fe0.75Mn 0.25)14B is paramagnetic at 295 K and is partially ordered at …

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Multiplet-Changing Auger Transitions In Valence Double Photoionization, U. Becker, Oliver Hemmers, B. Langer, I. Lee, A. Menzel, R. Wehlitz, M. Ya Amusia Feb 1993

Multiplet-Changing Auger Transitions In Valence Double Photoionization, U. Becker, Oliver Hemmers, B. Langer, I. Lee, A. Menzel, R. Wehlitz, M. Ya Amusia

Environmental Studies Faculty Publications

The decay of valence satellite states in neon above the first double-ionization threshold has been studied experimentally and theoretically. Special emphasis was given to differentiate between two decay modes: valence Auger and valence-multiplet Auger decay. It is shown that the latter process is predominant in the low kinetic energy part of the spectrum. The main structures of this low-energy Auger spectrum could be designated by help of calculated transition energies and decay rates.

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Pairwise And Many-Body Contributions To Interaction Potentials In He(N) Clusters, Carol A. Parish, Clifford E. Dykstra Jan 1993

Pairwise And Many-Body Contributions To Interaction Potentials In He(N) Clusters, Carol A. Parish, Clifford E. Dykstra

Chemistry Faculty Publications

High level ab initio calculations have been carried out to assess the pairwise additivity of potentials in the attractive or well regions of the potential surfaces of clusters of helium atoms. A large basis set was employed and calculations were done at the Brueckner orbital coupled cluster level. Differences between calculated potentials for several interacting atoms and the corresponding summed pair potentials reveal the three‐body and certain higher order contributions to the interaction strengths. Attraction between rare gas atoms develops from dispersion, and so helium clusters provide the most workable systems for analyzing nonadditivity of dispersion. The results indicate that …

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High-Energy Behavior Of The Double Photoionization Of Helium From 2 To 12 Kev, Jon C. Levin, Ivan A. Sellin, B. M. Johnson, Dennis W. Lindle, R. D. Miller, Y. Azuma, H. G. Berry, D.-H. Lee, N. Berrah Jan 1993

High-Energy Behavior Of The Double Photoionization Of Helium From 2 To 12 Kev, Jon C. Levin, Ivan A. Sellin, B. M. Johnson, Dennis W. Lindle, R. D. Miller, Y. Azuma, H. G. Berry, D.-H. Lee, N. Berrah

Chemistry and Biochemistry Faculty Research

We report the ratio of double-to-single photoionization of He at several photon energies from 2 to 12 keV. By time-of-Aight methods, we find a ratio consistent with an asymptote at 1.5%±0.2%, essentially reached by h v≈4 keV. Fair agreement is obtained with older shake calculations of Byron and Joachain [Phys. Rev. 164, 1 (1967)], of Aberg [Phys. Rev. A 2, 1726 (1970)], and with recent many-body perturbation theory (MBPT) of Ishihara, Hino, and McGuire [Phys. Rev. A 44, 6980 (1991)]. The result lies below earlier MPBT calculations by Amusia et al. [J. Phys. B 8 …

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Fullerene Derivatives And Fullerene Superconductors, H. H. Wang, J. A. Schlueter, A. C. Cooper, J. L. Smart, M. E. Whitten, U. Geiser, K. D. Carlson, J. M. Williams, U. Welp, J. D. Dudek, M. A. Caleca Jan 1993

Fullerene Derivatives And Fullerene Superconductors, H. H. Wang, J. A. Schlueter, A. C. Cooper, J. L. Smart, M. E. Whitten, U. Geiser, K. D. Carlson, J. M. Williams, U. Welp, J. D. Dudek, M. A. Caleca

Faculty Publications - Department of Biological & Molecular Science

A series of 1:1 Cgo cycloaddition adducts, CgoA (A = anthracene, butadiene, cyclopentadiene, and methylcyclopentadiene), has been synthesized. The products are cleanly separated and characterized by use of TGA, iH-NMR, IR, and mass spectrometry. Among these adducts, Cgodaethylcyclopentadiene) showed the highest thermal stability and was doped with three equivalents of rubidium. The resulting Rb3C6o(MeCp) is a semiconductor but can be thermally converted to the superconducting Rb3C6O through a retro-Diels-Alder reaction. A one-step doping process to prepare Rb3Ceo crystals has been developed. The optimal doping condition occurs at ~300°C. High superconducting shielding fractions: between 60 and 90% and sharp transition widths …

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Absolute-Convective Instabilities And Their Associated Wave Packets In A Compressible Reacting Mixing Layer, F. Q. Hu, T. L. Jackson, D. G. Lasseigne, C. E. Grosch Jan 1993

Absolute-Convective Instabilities And Their Associated Wave Packets In A Compressible Reacting Mixing Layer, F. Q. Hu, T. L. Jackson, D. G. Lasseigne, C. E. Grosch

Mathematics & Statistics Faculty Publications

In this paper the transition from convective to absolute instability in a reacting compressible mixing layer with finite rate chemistry is examined. The reaction is assumed to be one step, irreversible, and of Arrhenius type. It is shown that absolute instability can exist for moderate heat release without backflow. The effects of the temperature ratio, heat release parameter, Zeldovich number, equivalence ratio, direction of propagation of the disturbances, and the Mach number on the transition value of the velocity ratio are given. The present results are compared to those obtained from the flame sheet model for the temperature using the …

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