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Calibration of the isomer shift for iodine resonant transition by ab initio calculations
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SYSNO ASEP 0349764 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Calibration of the isomer shift for iodine resonant transition by ab initio calculations Author(s) Wdowik, U. D. (PL)
Legut, Dominik (UFM-A)
Ruebenbauer, K. (PL)Number of authors 3 Source Title Journal of Physical Chemistry A. - : American Chemical Society - ISSN 1089-5639
Roč. 114, č. 26 (2010), s. 7146-7152Number of pages 7 s. Language eng - English Country US - United States Keywords ab initio ; isomer shift of iodine ; calibration ; I127 ; I129 Subject RIV BM - Solid Matter Physics ; Magnetism CEZ AV0Z20410507 - UFM-A (2005-2011) UT WOS 000279282500030 DOI 10.1021/jp1019747 Annotation The isomer shift calibration constants have been calculated for 57.60 keV in 127I and for 27.72 keV in 129I resonant transitions by density functional theory. The NaI compound was used to set the origin of the scales in both cases. On the basis of the existing experimental data, the following values for the calibration constants were obtained: R )- 0.057(2) mm s-1 au3 for 127I and R ) +0.164(4) mm s-1 au3 for 129I. Spectroscopic electric quadrupole moments for the ground state of the above nuclei have been calculated as byproduct. The quadrupole moments Qg (127) ) -0.764(30) b and Qg (129) ) -0.731(3) b were obtained for 127I and 129I, respectively. Workplace Institute of Physics of Materials Contact Yvonna Šrámková, sramkova@ipm.cz, Tel.: 532 290 485 Year of Publishing 2011
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