Calibration of the isomer shift for iodine resonant transition by ab initio calculations

0349764 - ÚFM 2011 RIV US eng J - Journal Article
Wdowik, U. D. - Legut, Dominik - Ruebenbauer, K.
Calibration of the isomer shift for iodine resonant transition by ab initio calculations.
Journal of Physical Chemistry A. Roč. 114, č. 26 (2010), s. 7146-7152. ISSN 1089-5639. E-ISSN 1520-5215
Institutional research plan: CEZ:AV0Z20410507
Keywords : ab initio * isomer shift of iodine * calibration * I127 * I129
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 2.732, year: 2010

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.
Permanent Link: http://hdl.handle.net/11104/0006111