| | 1 | Author
| W. Tröger, C. Lippert, P. Schmidt, U. Schmidt, T. Butz, R. Hoffmann, M. Zeppezauer | Requires 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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| default:Reihe_A/51/ZNA-1996-51a-0427.pdf | | | | Identifier
| ZNA-1996-51a-0427 | | | | Volume
| 51 | |
| 2 | Author
| W. Tröger, C. Lippert, T. Butz, K. Sigfridsson, Ö. Hansson, E. Mclaughlin, R. Bauer, E. Danielsen, L. Hemmingsen, M. J. Bjerrum | Requires 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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| default:Reihe_A/51/ZNA-1996-51a-0431.pdf | | | | Identifier
| ZNA-1996-51a-0431 | | | | Volume
| 51 | |
| 3 | Author
| T. Butz | Requires 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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| default:Reihe_A/51/ZNA-1996-51a-0396.pdf | | | | Identifier
| ZNA-1996-51a-0396 | | | | Volume
| 51 | |
| 4 | Author
| H. M. Petrilli, M. Marszalek, H. Saitovitch | Requires 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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| default:Reihe_A/51/ZNA-1996-51a-0537.pdf | | | | Identifier
| ZNA-1996-51a-0537 | | | | Volume
| 51 | |
| 5 | Author
| G. Gowri, Tina Briere, Sudha Srinivas, Hwa-Suck Cho, T. P. Das, M. Frank, W. Kreische, K.V S Rama Rao | Requires 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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| default:Reihe_A/51/ZNA-1996-51a-0565.pdf | | | | Identifier
| ZNA-1996-51a-0565 | | | | Volume
| 51 | |
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