Chemistry Commons^™

Measurement Of The Ratio Of Double-To-Single Photoionization Of Helium At 2.8 Kev Using Synchrotron Radiation, Jon C. Levin, Dennis W. Lindle, N. Keller, R. D. Miller, Y. Azuma, N. Berrah Mansour, H. G. Berry, Ivan A. Sellin

Chemistry and Biochemistry Faculty Research

We report the first measurement of the ratio of double-to-single photoionization of helium well above the double-ionization threshold. Using a time-of-flight technique, we find He⁺⁺/He⁺=1.6±0.3% at hν=2.8 keV. This value lies between calculations by Amusia (2.3%) and by Samson, who predicts 1.2% by analogy with electron-impact ionization cross sections of singly charged ions. Good agreement is obtained with older shake calculations of Byron and Joachain, and of Åberg, who predict 1.7%.

Anisotropy Of Polarized X-Ray Emission From Molecules, S. H. Southworth, Dennis W. Lindle, R. Mayer, P. L. Cowan

Chemistry and Biochemistry Faculty Research

Strongly anisotropic, polarized Cl K-V x-ray emission from gas-phase CF₃Cl has been observed following resonant excitation with a linearly polarized x-ray beam. Distinctively different angular distributions are observed for x-ray emission involving molecular orbitals of different symmetries. A classical model of the x-ray absorption-emission process accurately describes the observed radiation patterns.

33rd Rocky Mountain Conference On Applied Spectroscopy

Rocky Mountain Conference on Magnetic Resonance

Program and registration information for the 33rd annual meeting of the Rocky Mountain Conference on Applied Spectroscopy, sponsored by the Rocky Mountain Section of the Society for Applied Spectroscopy. Held in Denver, Colorado, July 28 - August 1, 1991.

Fourier Transform Infrared (Ftir) Spectroscopy Analysis Of Combustion Aerosol, Gary Jacquin

Opportunities for Undergraduate Research Experience Program (OURE)

In conjunction with my co-op program at McDonnell-Douglas, my current OURE project is the analysis of combustion aerosols using Fourier Transform Infrared (FTIR) Spectroscopy. Aerosol science is a very important field as it is concerned with atmospheric chemistry, atmospheric physics, climate, public health, and environmental issues.

In the Cloud and Aerosol Sciences Laboratory (CASL) at UMR, combustion aerosols are generated by an in-house designed torch or burner. The fuels, JP4 and JP5, are provided by McDonnell-Douglas. Some other commercial fuels are also used. The primary objective of my OURE project was to generate and collect combustion aerosols for chemical analysis. …

A Mössbauer-Effect Study Of A Series Of R₂Fe₁₄C Hard Magnetic Materials, Gary J. Long, Oran Allan Pringle, Gaya Kanishka Marasinghe, Fernande Grandjean, K. H. Buschow

Chemistry Faculty Research & Creative Works

The ⁵⁷Fe Mössbauer-effect spectra of the series of hard magnetic materials, R₂Fe₁₄C, where R is Nd, Gd, Tb, Dy, Ho, and Lu, have been measured at 295 K. All of these carbides exhibit uniaxial magnetic anisotropy. The spectra resemble those obtained for the related R ₂Fe₁₄B compounds and have been fit with the model used earlier for Nd₂Fe₁₄B. The magnitude of the hyperfine field on each site, as a function of rare earth, parallels the Curie temperature; the maximum hyperfine fields and the maximum Curie temperature are observed …

Molecular-Orbital Studies Via Satellite-Free X-Ray Fluorescence: Cl-K Absorption And K–Valence-Level Emission Spectra Of Chlorofluoromethanes, Rupert C. Perera, P. L. Cowan, Dennis W. Lindle, R. E. Lavilla, T. Jach, R. D. Deslattes

Chemistry and Biochemistry Faculty Research

X-ray absorption and emission measurements in the vicinity of the chlorine K edge of the three chlorofluoromethanes have been made using monochromatic synchrotron radiation as the source of excitation. By selectively tuning the incident radiation to just above the Cl 1s single-electron ionization threshold for each molecule, less complex x-ray-emission spectra are obtained. This reduction in complexity is attributed to the elimination of multielectron transitions in the Cl K shell, which commonly produce satellite features in x-ray emission. The resulting "satellite-free" x-ray-emission spectra exhibit peaks due only to electrons in valence molecular orbitals filling a single Cl 1s vacancy. These …

Polarized X-Ray-Emission Studies Of Methyl Chloride And The Chlorofluoromethanes, Dennis W. Lindle, P. L. Cowan, T. Jach, R. E. Lavilla, R. D. Deslattes, Rupert C. Perera

Chemistry and Biochemistry Faculty Research

A new technique sensitive to molecular orientation and geometry, and based on measuring the polarization of x-ray emission, has been applied to the Cl-containing molecules methyl chloride (CH₃Cl) and the chlorofluoromethanes (CF₃Cl, CF₂Cl₂, and CFCl₃) in the gas phase. Upon selective excitation using monochromatic synchrotron radiation in the Cl K-edge (Cl 1s) near-threshold region, polarization-selective x-ray emission studies reveal highly polarized molecular valence x-ray fluorescence for all four molecules. The degree and the orientation of the polarized emission are observed to be sensitive to the incident excitation energy near …

High-Resolution Photoelectron Spectrometry Study Of Conjugate Shakeup Processes In The Li 1s Threshold Region, B. Langer, J. Viefhaus, Oliver Hemmers, A. Menzel, U. Becker

Environmental Studies Faculty Publications

Partial cross sections and angular-distribution asymmetry parameters of diagram and satellite lines associated with Li 1s photoionization were measured using synchrotron-radiation excitation. Special emphasis was given to a high-resolution study of the ¹P and ³P conjugate shakeup satellite lines testing qualitative predictions of the conjugate shakeup model: increasing σ and decreasing β values towards threshold, both being verified. Comparison with recent relaxed Hartree-Fock calculations shows good agreement for the ¹P satellite, but demonstrates also that the present theory does not seem to be able to describe the cross-section behavior of the ³P satellite correctly.

Direct Determination Of Molecular-Orbital Symmetry Of H2s Using Polarized X-Ray Emission, R. Mayer, Dennis W. Lindle, S. H. Southworth, P. L. Cowan

Chemistry and Biochemistry Faculty Research

X-ray emission from the molecule H₂S is strongly polarized following excitation of a sulfur K-shell electron to an unoccupied subthreshold molecular orbital with a polarized x-ray beam. Changes in the polarization of the emission spectrum are observed as the incident beam's energy is swept across the subthreshold absorption resonance. The previously unresolved absorption resonance is shown experimentally to be primarily associated with a molecular orbital of b₂ symmetry, but with a high-excitation-energy component due to an orbital with a₁ symmetry. Satellite emission intensity is shown to depend on the primary photon energy and is therefore associated …

Argon-Photoion–Auger-Electron Coincidence Measurements Following K-Shell Excitation By Synchrotron Radiation, Jon C. Levin, C. Biedermann, N. Keller, L. Liljeby, C.-S. O, R. T. Short, Ivan A. Sellin, Dennis W. Lindle

Chemistry and Biochemistry Faculty Research

Argon photoion spectra have been obtained for the first time in coincidence with K-LL and K-LM Auger electrons, as a function of photon energy. The simplified charge distributions which result exhibit a much more pronounced photon-energy dependence than do the more complicated noncoincident spectra. In the near-K-threshold region, Rydberg shakeoff of np levels, populated by resonant excitation of K electrons, occurs with significant probability, as do double-Auger processes and recapture of the K photoelectron through postcollision interaction.

32nd Rocky Mountain Conference

Rocky Mountain Conference on Magnetic Resonance

Program and registration information for the 32nd annual meeting of the Rocky Mountain Conference, co-sponsored by the Rocky Mountain Section of the Society for Applied Spectroscopy and the Rocky Mountain Chromatography Discussion Group. Held in Denver, Colorado, July 29 - August 3, 1990.

Path Integral Study Of The Correlated Electronic States Of Na4–Na6, Randall W. Hall

Collected Faculty Scholarship

Feynman’s path integral formulation of quantum mechanics is used to study the correlated electronic states of Na4–Na6. Two types of simulations are performed: in the first, the nuclei are allowed to move at finite temperature in order to find the most stable geometries. In agreement with previous calculations, we find that planar structures are the most stable and that there is significant vibrational amplitude at finite temperatures, indicating that the Born–Oppenheimer surface is relatively flat. In the second type of simulation, the nuclei are held fixed at symmetric and asymmetric geometries and the correlated electron density is found. Our results …

A Study Of The Hydration Properties Of Selected Laser Dye Aerosols Including Continuous-Flow Parallel Plate And Alternating-Gradient Thermal Diffusion Cloud Chamber Measurements In The High Supersaturation Regime, Donald E. Hagen, Max B. Trueblood, Darryl J. Alofs

Mechanical and Aerospace Engineering Faculty Research & Creative Works

The Hydration Behavior of Aerosols made Up of Various Fluorescent Dyes when Exposed to Water Saturation or Supersaturated Conditions Has Been Studied. Critical Supersaturation Spectra Are Reported. the Dyes Are Found to Behave as High Molecular Weight Ionic Compounds that Obey Kohler Theory. their Relevant Kohler Parameters Are Measured. This Study Makes Use of and Compares Results from the Isothermal Hazecontinuous-Flowand Alternating-Gradient Thermal Diffusion Cloud Chambers. the Ability of the Continuous-Flow Thermal Diffusion Chamber to Operate Correctly at High Supersaturations is Shown. © 1990 Elsevier Science Publishing Co., Inc.

31st Rocky Mountain Conference

Rocky Mountain Conference on Magnetic Resonance

Program and registration information for the 31st annual meeting of the Rocky Mountain Conference, co-sponsored by the Rocky Mountain Section of the Society for Applied Spectroscopy and the Rocky Mountain Chromatography Discussion Group. Held in Denver, Colorado, July 30 - August 4, 1989.

Condensation Coefficient Measurement For Water In The Umr Cloud Simulation Chamber, Donald E. Hagen, John L. Schmitt, Max B. Trueblood, John C. Carstens, Daniel R. White, Darryl J. Alofs

Physics Faculty Research & Creative Works

A systematic series of condensation coefficient measurements of water have been made using the University of Missouri-Rolla cooled-wall expansion chamber which simulates the thermodynamics of cloud. This coefficient is seen to decrease from a value near unity, at the outset of simulation, to a value in the neighborhood of 0.01 toward the end of a simulation. Final values of this coefficient are sufficiently low as to contribute significantly to the broadening of the drop-size distribution in cloud.

Measured Spectra Of The Hygroscopic Fraction Of Atmospheric Aerosol Particles, Darryl J. Alofs, Donald E. Hagen, Max B. Trueblood

Mechanical and Aerospace Engineering Faculty Research & Creative Works

The relation between dry diameter (X₀) and critical supersaturation (S_c) for atmospheric submicron aerosol particles is investigated using a long term air sampling program at Rolla, Missouri. The particles are passed through an electrostatic aerosol size classifier, and then through an isothermal haze chamber. Results are reported in terms of an apparent volume fraction of soluble material, ε_v defined such that for particles composed only of ammonium sulfate and water insoluble compounds, ε_v is the actual volume fraction of soluble material. The probability distribution of ε_v is found to be approximately Gaussian in …

The Exchange Potential In Path Integral Studies: Analytical Justification, Randall W. Hall

Collected Faculty Scholarship

We present analytical justification for our previously described exchange pseudopotential. We show how the fermi quantum partition function can be constructed from the Boltzmann (distinguishable particle) wave functions if the states that correspond to like‐spin electrons occupying the same quantum state are excluded. A class of weighting functions that satisfy this constraint approximately is discussed. Our previous pseudopotential falls under this class. Essentially, our pseudopotential forces the unwanted states to have high energy and, hence, to make negligible contribution to the partition function. Exchange potentials of the form discussed in this article should be useful for studying systems where the …

Mössbauer Effect Studies Of Nd₂Fe₁₄₋ₓsiₓb And Y₃Fe₁₄₋ₓsiₓb, Oran Allan Pringle, Gary J. Long, G. K. Marasinghe, William Joseph James, Antoni T. Pedziwiatr, W. E. Wallace, Fernande Grandjean

Physics Faculty Research & Creative Works

No abstract provided.

Measured Spectra Of The Hygroscopic Fraction Of Atmospheric Aerosol Particles, Darryl J. Alofs, Donald E. Hagen, Max B. Trueblood

Mechanical and Aerospace Engineering Faculty Research & Creative Works

The Relation between Dry Diameter (Xo) and Critical Supersaturation (Sc) for Atmospheric Submicron Aerosol Particles is Investigated. the Particles Are Passed through an Electrostatic Aerosol Size Classifier, and Then through an Isothermal Haze Chamber. Results Are Reported in Terms of an Apparent Volume Fraction of Soluble Material, Εv, Defined Such that for Particles Composed Only of Ammonium Sulfate and Water Insoluble Compounds, Εv is the Actual Volume Fraction of Soluble Material. the Probability Distribution of Εv is Found to Be Approximately Gaussian in the Εv Range 0.2 to 1.3. the Mean Εv is 0.5, for Electrostatic Aerosol Classifier Settings of …

A Neutron Diffraction And Mössbauer Spectral Study Of The Structure And Magnetic Properties Of The Y₂Fe₁₄₋ₓsiₓb Solid Solutions, Gaya Kanishka Marasinghe, Oran Allan Pringle, Gary J. Long, William B. Yelon, Fernande Grandjean

Physics Faculty Research & Creative Works

A neutron diffraction and Mössbauer spectral study of Y₂Fe_14-xSi_xB shows that silicon preferentially occupies the 4c, and to a lesser extent, the 8j₁ sites in Y₂Fe_14-xSi_xB. The trend in the site occupancy is the same as in Nd₂Fe_14-xSi_xB. The Curie temperature of Y₂Fe_14-xSi_xB increases with increasing silicon content. Neutron diffraction data show that the increase in Curie temperature is accompanied by a contraction of the unit cell. Wigner-Seitz cell calculations, using the Y₂Fe …

A Mössbauer Effect Study Of Y₂Fe₁₄B And Its Aluminum Solid Solutions, Dwayne E. Tharp, Gary J. Long, Oran Allan Pringle, Gaya Kanishka Marasinghe, William Joseph James, Fernande Grandjean

Chemistry Faculty Research & Creative Works

The Mössbauer spectra of Y₂Fe₁₄B have been measured from 85 to 296 K. Analysis of the spectra indicates that the near-neighbor rare-earth atoms directly influence the orientation of the principal axis of the electric field gradient. The hyperfine parameters are very similar to those of Nd₂Fe₁₄B, but the internal fields are somewhat smaller at room temperature in the yttrium compound. The Mösssbauer spectra of Y₂(Fe_1-xAl_x) ₁₄B, where x equals 0.00, 0.02, 0.04, 0.06, and 0.08, have been measured at 85 K. The average internal hyperfine …

30th Rocky Mountain Conference

Rocky Mountain Conference on Magnetic Resonance

Program and abstracts from the 30th annual meeting of the Rocky Mountain Conference, co-sponsored by the Rocky Mountain Section of the Society for Applied Spectroscopy and the Rocky Mountain Chromatography Discussion Group. Held in Denver, Colorado, July 31 - August 5, 1988.

The Treatment Of Exchange In Path Integral Simulations Via An Approximate Pseudopotential, Randall W. Hall

Collected Faculty Scholarship

An approximate form that includes the effects of exchange is suggested for the short time propagator used in path integral simulations. The form is inspired physically by the approximation made in Hartree–Fock treatments of atoms and molecules. The approximate propagator is used with q u a n t i t a t i v e accuracy in two systems: an ideal gas of fermions localized in a three‐dimensional harmonic well and the triplet state of the sodium dimer.

The Spectroscopy And Molecular Dynamics Of The High Frequency Ν1 6 Intermolecular Vibrations In Hcn‐‐‐Hf And Dcn‐‐‐Df, B. A. Wofford, M. W. Jackson, Shannon Lieb, J. W. Bevan

Scholarship and Professional Work - LAS

Gas phase rovibrational analysis of the high frequency intermolecular hydrogen bonded bending overtone 2ν⁰ ₆ [ν₀=1132.4783(2) cm^{− 1}] in HCN‐‐‐HF and its corresponding perdeuterated fundamental ν¹ ₆ [ν₀=409.1660(2) cm^{− 1}] are reported. Evaluated rovibrational parameters provide the basis for quantitative modeling of the molecular dynamics associated with this vibration. A quantum mechanical calculation permits determination of the quadratic and quartic force constants K _{6 6}=537(17) and K _{6 6 6 6}=4.98(12) cm^{− 1} which in turn are used to estimate the pertinent cubic band stretching interaction constants …

Erratum: Determination Of Dissociation Energies And Thermal Functions Of Hydrogen Bond Formation Using High Resolution Ftir Spectroscopy [J. Chem. Phys. 8 7, 5674 (1987)], B. A. Wofford, M. E. Eliades, Shannon Lieb, J. W. Bevan

Scholarship and Professional Work - LAS

Erratum

Projectile-Charge Dependence Of Ejected-Electron Spectra, V. D. Irby, Timothy James Gay, Jimmie Garwin Edwards, Edward Boyd Hale, M. L. Mckenzie, Ronald E. Olson

Physics Faculty Research & Creative Works

We have studied H⁺+He and He⁺+3+He ionizing collisions at intermediate energies (60 to 120 keV/amu) and have observed a significant shift in the velocity position of the maxima in forward-ejected electron spectra when changing projectiles from protons to particles. In ionizing collisions, a large portion of the ejected electrons are stranded near the transitory equiforce, or saddle point, position between the target ion and receding projectile. The shift in the electron spectra maxima to smaller velocities, due to changing projectiles from protons to particles, is consistent with the shift in the saddle-point velocity when the projectile …

University Of Missouri-Rolla Cloud Simulation Facility: Proto Ii Chamber, Daniel R. White, James L. Kassner, John C. Carstens, Donald E. Hagen, John L. Schmitt, Darryl J. Alofs, Alfred R. Hopkins, Max B. Trueblood, Max W. Alcorn, William L. Walker

Mechanical and Aerospace Engineering Faculty Research & Creative Works

The Graduate Center for Cloud Physics Research at UMR Has Developed a Cloud Simulation Facility to Study Phenomena Occurring in Terrestrial Clouds and Fogs. the Facility Consists of a Pair of Precision Cooled-Wall Expansion Chambers Along with Extensive Supporting Equipment. the Smaller of These Chambers, Described in This Article, is Fully Operational, and is Capable of Simulating a Broad Range of In-Cloud Thermodynamic Conditions. It is Currently Being Used to Study Water Drop Growth and Evaporation for Drops Nucleated (Activated) on Well-Characterized Aerosol Particles. Measurements Have Been Made Not Only for Continuous Expansions (Simulated Updraft) But Also for Cyclic Conditions, …

29th Rocky Mountain Conference

Rocky Mountain Conference on Magnetic Resonance

Program and abstracts from the 29th annual meeting of the Rocky Mountain Conference, co-sponsored by the Rocky Mountain Section of the Society for Applied Spectroscopy and the Rocky Mountain Chromatography Discussion Group. Held in Denver, Colorado, August 2-6, 1987.

Measurement Of The Condensation Coefficient Of Water In The Umr Cloud Simulation Chamber, Daniel R. White, James L. Kassner, John C. Carstens, Donald E. Hagen, John L. Schmitt, Darryl J. Alofs, A. R. Hopkins, Max B. Trueblood, M. W. Alcorn

Physics Faculty Research & Creative Works

Measurements of the condensation coefficient of water under conditions closely approximating those in natural atmospheric cloud have been made in the cooled-wall UMR cloud simulation chamber. Current measurements disclose a value of condensation coefficient near unity at the outset of the experiment, generally decreasing to lower values (~ .01) as the experiment progresses. The significance of the magnitude of condensation coefficient in atmospheric cloud is briefly discussed.

University Of Missouri--Rolla Cloud Simulation Facility: Proto Ii Chamber, Daniel R. White, James L. Kassner, John C. Carstens, Donald E. Hagen, John L. Schmitt, Darryl J. Alofs, Alfred Raymond Hopkins, Max B. Trueblood, Max W. Alcorn, William L. Walker

Physics Faculty Research & Creative Works

The Graduate Center for Cloud Physics Research at UMR has developed a cloud simulation facility to study phenomena occurring in terrestrial clouds and fogs. The facility consists of a pair of precision cooled-wall expansion chambers along with extensive supporting equipment. The smaller of these chambers, described in this article, is fully operational, and is capable of simulating a broad range of in-cloud thermodynamic conditions. It is currently being used to study water drop growth and evaporation for drops nucleated (activated) on well-characterized aerosol particles. Measurements have been made not only for continuous expansions (simulated updraft) but also for cyclic conditions, …