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  • 1990-1994  (6)
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Material
Years
Year
  • 1
    Electronic Resource
    Electronic Resource
    A molecular orbital study of bonding and ionization energies in pentavalent uranium imide/amide complexes (1992)
    s.l. : American Chemical Society
    Inorganic chemistry 31 (1992), S. 577-581 
    Details
    ISSN: 1520-510X
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ic00030a010
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    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    The fine and magnetic hyperfine structure of 87SrF in its X 2Σ+ state (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 5533-5538 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A molecular beam rf–optical double resonance experiment was performed on 87SrF in its naturally occurring abundance ratio. The natural occurring abundances of the strontium isotopes are 86Sr (9.8%), 87Sr(7.02%) and 88Sr (82.5%). Numerous magnetic dipole allowed transitions between ρ-doublets in the X 2Σ+ state were measured to an accuracy of 3 kHz. The observed spectra were analyzed in terms of an effective Hamiltonian which includes the magnetic hyperfine and electric quadrupole interactions arising from the 87 Sr (I=9/2) and 19F (I=1/2) nuclei. The extracted spectroscopic hyperfine parameters were interpreted in terms of a simple molecular orbital picture for the electronic nature of the X 2Σ+ state. A comparison is made to previous results for the more abundant 86SrF and 88SrF isotopic forms.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459622
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Partial cross sections in the photoionization of open-shell atoms: Photoelectron spectroscopy of Te (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 321-330 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A general expression is derived for the relative partial cross sections for formation of fine structure states in the photoionization of open-shell atoms. The expression is particularized to the cases of chalcogen and pnicogen atoms. By utilizing spectroscopic parameters, branching ratios from photoionization of the ground state, or other components of the lowest configuration, are predicted. New experimental data on atomic tellurium are reported, and compared with predicted branching ratios. The good agreement provides support for the calculational method, since this element is best characterized by intermediate coupling, and the intensities depart significantly from L–S based statistical weights. The comparative study of the pnicogen atoms is less revealing. Most of the intensity is concentrated in the triad 3P0,1,2, where experimental data suffer from limited resolution. A weak 1D2 peak is predicted for bismuth, where it has been observed, and for antimony, for which the relevant data are not yet available.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.460400
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    Paper (German National Licenses)
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  • 4
    Electronic Resource
    Electronic Resource
    Interpretation of photoelectron spectra for ThF4, UF4, ThCl4, and UCl4 in terms of relativistic local-density molecular orbital calculations (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 2928-2939 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We describe fully relativistic calculations for the actinide tetrahalides UF4, ThF4, UCl4, and ThCl4 using the Dirac–Slater local-density model. We use an extended basis set of numerical atomic functions calculated in a potential well. A multipolar expansion technique is used to represent detailed features of the molecular charge density and the local exchange potential used is the Von Barth–Hedin–Lundqvist potential. By describing the molecules with physically reasonable wave functions and charge densities, we are able to calculate transition-state energies in good agreement with most features of the experimental photoelectron spectra. For the chlorine 3s levels we suggest revised ionization energies in the gas phase. The experimental values in the literature seem to have been incorrectly assigned, probably because they occur near the high energy limit for He(I) radiation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459815
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    Paper (German National Licenses)
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  • 5
    Electronic Resource
    Electronic Resource
    Crystal-field excitations and superconductivity in Nd1+xBa2−xCu3O7 (1990)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 67 (1990), S. 4536-4538 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The f-electron excitation spectra of Nd ions in superconducting NdBa2Cu3O7 and semiconducting Nd1.5Ba1.5Cu3O7 have been determined by inelastic neutron scattering. Transitions within the paramagnetic ground-state multiplet due to crystal-field splittings have been observed up to about 120 meV in these materials. The temperature dependence of the width of the low-lying transition at ∼21 meV shows significant differences in the superconducting and normal states. Adopting the CF level assignments for HoBa2Cu3O7, we rescaled the CF parameters to account for the larger radial wave functions of Nd3+ ions and obtained a level scheme for the Nd using the lowest 100 states of the f3 configuration. The calculated level structures for REBa2Cu3O7 (RE=Nd, Pr, Ho) are in good agreement with neutron and susceptibility measurements. Influence of superconducting ordering on crystal-field transitions in the Nd1+xBa2−xCu3O7 system is also discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.344860
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    Paper (German National Licenses)
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  • 6
    Electronic Resource
    Electronic Resource
    f-electron localization/delocalization phenomena in PrBa2Cu3O7 and related compounds (1990)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 67 (1990), S. 5067-5069 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: In order to investigate possible mechanisms for the suppression of superconductivity in PrBa2Cu3O7 and CmBa2Cu3O7, the electronic properties of the Pr-compound have been examined using magnetic susceptibility and inelastic neutron scattering. These results are compared with those obtained on an insulator, PrScO3, chosen as a model compound. These experiments, together with cluster calculations, lead to the conclusion that an interaction between the f electrons and the Cu d electrons occurs in both PrBa2Cu3O7 and CmBa2Cu3O7.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.344672
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    Paper (German National Licenses)
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