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ssbauer isomer shifts with density functional calculationsKaneko, Masashi; Watanabe, Masayuki; Miyashita, Sunao*; Nakashima, Satoru*
Radioisotopes, 66(8), p.289 - 300, 2017/08
Scalar-relativistic density functional calculations applied to some trivalent europium complexes. Five Eu(III) complexes whose 
Eu Mssbauer isomer shifts vary from -1.8 to 0.5 mm/s are referred by previously reported results. Geometrical optimizations of their complexes reproduces the experimental coordination structures. Single-point calculations are applied to their optimized geometries at three density functionals, namely, BP86, B3LYP, and B2PLYP, to obtain their electron densities at Eu nucleus. A comparison of the linearity between the electron densities and the corresponding Eu Mssbauer isomer shifts reveals that B2PLYP functional shows the best linearity. Electron population and bond analyses indicate that d- and f-orbital electrons of Eu ion in the complexes are found to be correlated to the experimental Eu Mssbauer isomer shifts. This indicates that the d- and f-orbital electrons are involved in the covalent interaction of the coordination bond between the Eu ion and the ligands.
Dy
TiO
Yoshii, Kenji; Mizumaki, Masaichiro*; Nakamura, Akio; Abe, Hideki*
Journal of Solid State Chemistry, 171(1-2), p.345 - 348, 2003/02
Times Cited Count：9 Percentile：30.79(Chemistry, Inorganic & Nuclear)no abstracts in English
Ozaki, Takuo; Arisaka, Makoto; Kimura, Takaumi; Francis, J. A.*; Yoshida, Zenko
Analytical and Bioanalytical Chemistry, 374(6), p.1101 - 1104, 2002/11
Times Cited Count：24 Percentile：57.86(Biochemical Research Methods)no abstracts in English
and halobacterium salinarumOzaki, Takuo; Gillow, J. B.*; Francis, J. A.*; Kimura, Takaumi; Onuki, Toshihiko; Yoshida, Zenko
Journal of Nuclear Science and Technology, 39(Suppl.3), p.950 - 953, 2002/11
no abstracts in English
Journal of Nuclear Science and Technology, 13(8), p.449 - 453, 1976/08
Times Cited Count：1no abstracts in English
*; *; *; ; *; *
Bunseki Kagaku, 13(1), p.32 - 38, 1964/00
no abstracts in English
Terashima, Motoki; Saito, Takumi; Ishii, Tomoko*; Akagi, Yosuke*; Tachi, Yukio
no journal, ,
no abstracts in English
Kozai, Naofumi; Sakamoto, Fuminori; Onuki, Toshihiko; Sato, Takahiro; Koka, Masashi; Kamiya, Tomihiro; Esaka, Fumitaka
no journal, ,
To reveal the role of protozoa in environmental migration of radionuclides, this study investigated behavior of heavy elements (U, Eu) during culture of Paramecium sp. with yeast on which heavy elements were sorbed. Paramecium was chosen as model protozoa. After the exposure of yeast cells to a dilute heavy element aqueous solution, phosphates of these elements formed on yeast cells. Paramecium cells were cultured with those yeast cells. Only very small fractions of the presorbed heavy elements were dissolved from yeast cells during the Paramecium culture. As culture time advances, membranous precipitates formed which contained undigested and digested yeast cells and dense membranous organic substance filling gaps between those cells. In the precipitates many phosphate particles which size and morphology are similar to those on the yeast cells were observed. These results suggest that the immobilization effect of yeast cells for heavy elements was preserved in the prey-predator system.
Terashima, Motoki; Saito, Takumi*; Ishii, Tomoko*; Ito, Miki*; Akagi, Yosuke*; Tachi, Yukio
no journal, ,
no abstracts in English
Terashima, Motoki; Saito, Takumi*; Ito, Miki*; Akagi, Yosuke*; Tachi, Yukio
no journal, ,
no abstracts in English
