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'Nuclear Quadrupole Interaction' in keywords Facet   section ZfN Section A:Volume 051  [X]
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1996 (5)
1Author    W. Tröger, C. Lippert, P. Schmidt, U. Schmidt, T. Butz, R. Hoffmann, M. ZeppezauerRequires cookie*
 Title    Hg-Coordination Studies of Cysteine Containing Oligopeptides * and the ISOLDE Collaboration 0  
 Abstract    In order to study the interaction of cysteine containing peptide chains with Hg(II) the nuclear quadrupole interaction (NQI) of 199m Hg in the Hg complex of the oligopeptide Alanine-Alanine-Cysteine-Alanine-Alanine (AACAA) was determined by time differential perturbed angular correla-tion. Different 199m Hg-NQI's for free and resin-bound AACAA were obtained. Furthermore, the 199m Hg-NQI's are influenced by the Hg:AACAA stoichiometry. 
  Reference    Z. Naturforsch. 51a, 427—430 (1996); received October 20 1995 
  Published    1996 
  Keywords    TDPAC, Nuclear quadrupole interaction, Oligopeptides, Hg-Coordination 
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 TEI-XML for    default:Reihe_A/51/ZNA-1996-51a-0427.pdf 
 Identifier    ZNA-1996-51a-0427 
 Volume    51 
2Author    W. Tröger, C. Lippert, T. Butz, K. Sigfridsson, Ö. Hansson, E. Mclaughlin, R. Bauer, E. Danielsen, L. Hemmingsen, M. J. BjerrumRequires cookie*
 Title    Small Scale Intramolecular Flexibility in lllm Cd-Plastocyanin  
 Abstract    The effect of mutations in the vicinity of the putative electron transfer path on the metal center of the electron transfer protein plastocyanin (spinacea) is investigated by monitoring the nuclear quadrupole interaction of 1Um Cd in Cd-derivatives of the protein via time differential perturbed angular correlation. The spectra for the wild type protein and the mutants were rather similar. All spectra exhibit a peculiar line profile which points towards a small scale intramolecular flexibility of the metal center. 
  Reference    Z. Naturforsch. 51a, 431—436 (1996); received October 20 1995 
  Published    1996 
  Keywords    TDPAC, Nuclear quadrupole interaction, lllm Cd-Plastocyanin, flexibility 
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 TEI-XML for    default:Reihe_A/51/ZNA-1996-51a-0431.pdf 
 Identifier    ZNA-1996-51a-0431 
 Volume    51 
3Author    T. ButzRequires cookie*
 Title    Nuclear Quadrupole Interactions Studied by Time Differential Perturbed Angular Correlations of y-Rays  
 Abstract    This paper gives an elementary introduction to time differential perturbed angular correlation of y-rays emitted from excited nuclei with particular reference to nuclear quadrupole interactions. We start with a comparison to other techniques such as nuclear quadrupole resonance and the Mössbauer effect, quote all necessary formulae, describe a typical spectrometer, list suitable iso-topes, and finally give some examples for modern applications. 
  Reference    Z. Naturforsch. 51a, 396—410 (1996); received December 12 1995 
  Published    1996 
  Keywords    Nuclear quadrupole interactions, Time differential perturbed angular correlations (TDPAC), TDPAC: theory, spectrometers, isotopes, Mercury compounds, Tungsten compounds 
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 TEI-XML for    default:Reihe_A/51/ZNA-1996-51a-0396.pdf 
 Identifier    ZNA-1996-51a-0396 
 Volume    51 
4Author    H. M. Petrilli, M. Marszalek, H. SaitovitchRequires cookie*
 Title    Study of the EFG Trends in Zr 2 T (T = Fe, Co, Ni) Intermetallic Compounds  
 Abstract    We use the linear muffin-tin orbital formalism, in the atomic sphere approximation, to investigate the trends of the electric field gradient (EFG) at the nucleus for the non-equivalent sites in Zr 2 T (T = Fe, Co and Ni) intermetallic compounds. As all those compounds crystallize in the same C16 crystallographic structure, they offer a rare opportunity to investigate electronic structure effects coming from transition metals on the EFG at Zr site. Those results are compared with EFG values obtained from quadrupole coupling constant measurements performed with the time differential perturbed angular correlation (TDPAC) technique, using the 181 Ta probe. 
  Reference    Z. Naturforsch. 51a, 537—543 (1996); received February 13 1996 
  Published    1996 
  Keywords    Electric Field Gradient, Intermetallic Compounds, LMTO-ASA, Electronic Structure, Nuclear Quadrupole Interactions 
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 TEI-XML for    default:Reihe_A/51/ZNA-1996-51a-0537.pdf 
 Identifier    ZNA-1996-51a-0537 
 Volume    51 
5Author    G. Gowri, Tina Briere, Sudha Srinivas, Hwa-Suck Cho, T. P. Das, M. Frank, W. Kreische, K.V S Rama RaoRequires cookie*
 Title    Theory of Nuclear Quadrupole Interactions in Solid Fluoromethanes with Implanted l9 F* Nuclei. Coupling of HF* and Host Molecule  
 Abstract    The Quadrupole Coupling Constant e 2 qQ and Asymmetry Parameter rj of fluorine for fluorine-substitute methane compounds are calculated using the Hartree-Fock Roothaan procedure. Our results are compared with experimental data from measurements by the Time Differential Perturbed Angular Distribution (TDPAD) technique using excited 19 F* (spin 5/2) nuclei. The theoretical e 2 qQ's for the 19 F* nuclei in the fluoromethanes are in good agreement with experimental results. For CH 2 F 2 and CHC1F 2 molecules, where finite rj are expected from symmetry considerations, our results for ri are small, 0.12 and 0.05 respectively, in agreement with experimental observation. Besides the F* coupling constants associated with the C-F bonds in fluoromethanes, additional interesting NQI parameters, close to those in solid hydrogen fluoride, are observed in the TDPAD measurements. It is demonstrated through investigations of the total energies and electric field gradients that these additional NQI parameters for the fluoromethanes can be explained by a HF* molecule hydrogen-bonded through the hydrogen to a fluorine atom in the host molecular systems. This complexing of an ionic molecule to the host molecules in organic solids containing strongly electronegative atoms is expected to be a general feature in both implantation and conventional techniques. 
  Reference    Z. Naturforsch. 51a, 565—571 (1996); received March 8 1996 
  Published    1996 
  Keywords    Nuclear Quadrupole Interaction, 19 F* (nuclear excited state), Fluoromethane, Hartree-Fock Calculation, Hydrogen Bonding 
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 TEI-XML for    default:Reihe_A/51/ZNA-1996-51a-0565.pdf 
 Identifier    ZNA-1996-51a-0565 
 Volume    51