Hydroxyl group/fluorine disorder in deuterated magnesium hydroxyfluoride and behaviors of hydrogen bonds under high pressure

He, X.*; Kagi, Hiroyuki*; Komatsu, Kazuki*; Iizuka, Riko*; Okajima, Hajime*; Hattori, Takanori; Sano, Asami; Machida, Shinichi*; Abe, Jun*; Goto, Hirotada*; et al.

Journal of Molecular Structure, 1310, p.138271_1 - 138271_8, 2024/08

https://doi.org/10.1016/j.molstruc.2024.138271

High-pressure responses of the O-DF hydrogen bonds in deuterated magnesium hydroxyfluoride were investigated using neutron powder diffraction and Raman spectroscopy. The Rietveld analysis at ambient conditions revealed a chemical formula of Mg(OD)F and hydroxyl group/fluorine disorder (OD/F disorder) in the crystal structure, which gave rise to two hydrogen-bonding configurations. The Rietveld analysis showed the hydrogen-bonding geometries remains up to 9.8 GPa, indicating no pressure-induced strengthening of hydrogen bonds. The Raman spectra at ambient conditions showed three hydroxyl stretching bands at 2613, 2694, and 2718 cm. The high frequencies of the O-D stretching modes indicated that the hydroxyls should be involved in weak or none hydrogen-bonding interactions. Up to 20.2 GPa, the mode initially centered at 2694 cm displayed a pressure-induced blue shift, revealing no strengthening of hydrogen bonds under compression. We discuss the existence of hydrogen bonds and the causes of the blue-shifting hydroxyls at ambient and at high pressures.

Observation of dihydrogen bonds in high-pressure phases of ammonia borane by X-ray and neutron diffraction measurements

Nakano, Satoshi*; Sano, Asami; Hattori, Takanori; Machida, Shinichi*; Komatsu, Kazuki*; Fujihisa, Hiroshi*; Yamawaki, Hiroshi*; Goto, Yoshito*; Kikegawa, Takumi*

Inorganic Chemistry, 60(5), p.3065 - 3073, 2021/03

https://doi.org/10.1021/acs.inorgchem.0c03345

X-ray and neutron diffraction analyses of ammonia borane were conducted at ambient and high pressures. The H-H distance in dihydrogen bonds was shorter than twice the van der Waals radius (2.4 ). The half of the dihydrogen bonds were broken on phase transition from AP to the first high pressure phase (HP1) at approximately 1.2 GPa as revealed by an increase in the H-H distances. On further pressure increase, all of the H-H distances became shorter than 2.4 again, implying the pressure-induced reformation of the dihydrogen bonds. Furthermore, the HP1 transformed to the second one with the structure of (Z = 2) at about 11 GPa. In this phase transition, the inclination of the molecule axis became larger and the number of types of dihydrogen bonds increased from 6 to 11. Just before the third transition at 18.9 GPa, the shortest dihydrogen bond decreased to 1.65 . The present study experimentally first confirmed the breakage and reformation of the dihydrogen bonds by the structural change under pressure.

Determination of fusion barrier distributions from quasielastic scattering cross sections towards superheavy nuclei synthesis

Tanaka, Taiki*; Narikiyo, Yoshihiro*; Morita, Kosuke*; Fujita, Kunihiro*; Kaji, Daiya*; Morimoto, Koji*; Yamaki, Sayaka*; Wakabayashi, Yasuo*; Tanaka, Kengo*; Takeyama, Mirei*; et al.

Journal of the Physical Society of Japan, 87(1), p.014201_1 - 014201_9, 2018/01

https://doi.org/10.7566/JPSJ.87.014201

Excitation functions of quasielastic scattering cross sections for the Ca + Pb, Ti + Pb, and Ca + Cm reactions were successfully measured by using the gas-filled recoil-ion separator GARIS. Fusion barrier distributions were extracted from these data, and compared with the coupled-channels calculations. It was found that the peak energies of the barrier distributions for the Ca + Pb and Ti + Pb systems coincide with those of the 2n evaporation channel cross sections for the systems, while that of the Ca + Cm is located slightly below the 4n evaporation ones. This results provide us helpful information to predict the optimum beam energy to synthesize superheavy nuclei.

Analytical study of the applicability of FeCrAl-ODS cladding for BWR

Takano, Sho*; Kusagaya, Kazuyuki*; Goto, Daisuke*; Sakamoto, Kan*; Yamashita, Shinichiro

Proceedings of 2017 Water Reactor Fuel Performance Meeting (WRFPM 2017) (USB Flash Drive), 10 Pages, 2017/09

http://www.wrfpm2017.org/upload/draft_file/F-032-PD1.pdf

We focused on one of accident tolerant fuel (ATF) materials, Oxide Dispersion Strengthened Fe-Cr-Al Steel (FeCrAl-ODS). There is a reasonable prospect that FeCrAl-ODS is applied to BWRs, but relatively high neutron absorption should be compensated. To decrease adverse neutron economic impact, thin FeCrAl-ODS cladding was designed, and we evaluated characteristics of a core into which 99 Advanced BWR (ABWR) bundles with thin FeCrAl-ODS claddings were loaded. Thin FeCrAl-ODS water rods and channel boxes were also applied. We confirmed that FeCrAl-ODS core reactivity was sufficient by increasing enrichment of UO fuel under the limit of 5 wt%. Moreover, some representative FeCrAl-ODS core characteristics were comparable to zircaloy core. We also confirmed that fuel thermal-mechanical behaviors of thin FeCrAl-ODS cladding at normal operation and transient conditions were acceptable. These results led to a conclusion that FeCrAl-ODS was applicable to BWR in the analysis range of this study.

Fission fragments mass distributions of nuclei populated by the multinucleon transfer channels of the O + Th reaction

Lguillon, R.; Nishio, Katsuhisa; Hirose, Kentaro; Makii, Hiroyuki; Nishinaka, Ichiro*; Orlandi, R.; Tsukada, Kazuaki; Smallcombe, J.*; Chiba, Satoshi*; Aritomo, Yoshihiro*; et al.

Physics Letters B, 761, p.125 - 130, 2016/10

https://doi.org/10.1016/j.physletb.2016.08.010

Excitation functions for production of Rf isotopes in the Cm + O reaction

Murakami, Masashi*; Goto, Shinichi*; Murayama, Hirofumi*; Kojima, Takayuki*; Kudo, Hisaaki*; Kaji, Daiya*; Morimoto, Koji*; Haba, Hiromitsu*; Kudo, Yuki*; Sumita, Takayuki*; et al.

Physical Review C, 88(2), p.024618_1 - 024618_8, 2013/08

https://doi.org/10.1103/PhysRevC.88.024618

Production cross sections of Rf isotopes in the Cm + O reaction were measured at the beam energy range of 88.2 to 101.3 MeV by use of a gas-filled recoil ion separator. The excitation functions of Rf, Rf, and Rf were obtained together with those of spontaneously fissioning nuclides which have few-second half-lives and have been assigned to Rf and a longer-lived state of Rf. The excitation function of few-second spontaneously fissioning nuclide exhibited the maximum cross section at the O beam energy of 94.8 MeV. The shape of the excitation function was almost the same as that of Rf, whereas it was quite different from those of Rf and Rf. A few-second spontaneously fissioning nuclide previously reported as Rf and Rf observed inCm + O reaction was identified as Rf.

New result in the production and decay of an isotope, 113 of the 113th element

Morita, Kosuke*; Morimoto, Koji*; Kaji, Daiya*; Haba, Hiromitsu*; Ozeki, Kazutaka*; Kudo, Yuki*; Sumita, Takayuki*; Wakabayashi, Yasuo*; Yoneda, Akira*; Tanaka, Kengo*; et al.

Journal of the Physical Society of Japan, 81(10), p.103201_1 - 103201_4, 2012/10

https://doi.org/10.1143/JPSJ.81.103201

An isotope of the 113th element, 113, was produced in a nuclear reaction with a Zn beam on a Bi target. We observed six consecutive decays following the implantation of a heavy particle in nearly the same position in the semiconductor detector, in extremely low background condition. The fifth and sixth decays are fully consistent with the sequential decays of Db and Lr both in decay energies and decay times. This indicates that the present decay chain consisted of 113, Rg (Z = 111), Mt (Z = 109), Bh (Z = 107), Db (Z = 105), and Lr (Z = 103) with firm connections. This result, together with previously reported results from 2004 and 2007, conclusively leads the unambiguous production and identification of the isotope 113, of the 113th element.

Fluorido complex formation of element 104, rutherfordium (Rf)

Ishii, Yasuo; Toyoshima, Atsushi; Tsukada, Kazuaki; Asai, Masato; Li, Z.*; Nagame, Yuichiro; Miyashita, Sunao*; Mori, Tomotaka*; Suganuma, Hideo*; Haba, Hiromitsu*; et al.

Bulletin of the Chemical Society of Japan, 84(9), p.903 - 911, 2011/09

https://doi.org/10.1246/bcsj.20110126

The cation-exchange behavior of element 104, rutherfordium (Rf), was investigated together with its lighter group-4 homologues Zr and Hf, and the tetravalent pseudo-homologue Th in HF/HNO mixed solution. The results demonstrate that distribution coefficients () of Rf in HF/0.10 M HNO decrease with increasing concentration of the fluoride ion [F], indicating the consecutive formation of fluorido complexes of Rf. We also measured the values of Rf and the homologues as a function of the hydrogen ion concentration [H]. The log values decrease linearly with an increase of log [H] with slopes between -2.1 and -2.5. This indicates that these elements are likely to form the same chemical compounds: mixture of [MF] and [MF] (M = Rf, Zr, Hf and Th) in the studied solution. It is also ascertained that sequence in the fluoride complex formation is Zr Hf Rf Th.

Extraction of chromatographic behavior of Rf, Zr, and Hf in HCl solution with styrenedivinylbenzene copolymer resin modified by TOPO (trioctylphosphine oxide)

Toyoshima, Atsushi; Kasamatsu, Yoshitaka*; Tsukada, Kazuaki; Asai, Masato; Ishii, Yasuo; Tome, Hayato*; Nishinaka, Ichiro; Sato, Tetsuya; Nagame, Yuichiro; Schdel, M.; et al.

Journal of Nuclear and Radiochemical Sciences, 11(1), p.7 - 11, 2010/06

https://doi.org/10.14494/jnrs.11.7

The extraction behavior of rutherfordium (Rf) into trioctylphosphine oxide (TOPO) from 2.0 - 7.0 M HCl solution was studied together with that of the homologues Zr and Hf. The extracted yields of Rf, Zr, and Hf increased with an increase of HCl concentration, and the sequence of their extraction was Zr Hf Rf. It is suggested that the stability of the RfCl2(TOPO) complex is lower than that of the corresponding species of the homologues.

Decay properties of Bh and Db produced in the Cm + Na reaction

Morita, Kosuke*; Morimoto, Koji*; Kaji, Daiya*; Haba, Hiromitsu*; Ozeki, Kazutaka*; Kudo, Yuki*; Sato, Nozomi*; Sumita, Takayuki*; Yoneda, Akira*; Ichikawa, Takatoshi*; et al.

Journal of the Physical Society of Japan, 78(6), p.064201_1 - 064201_6, 2009/06

https://doi.org/10.1143/JPSJ.78.064201

Decay properties of an isotope Bh and its daughter nucleus Db produced by the Cm(Na,5) reaction were studied by using a gas-filled recoil separator coupled with a position-sensitive semiconductor detector. Bh was clearly identified from the correlation of the known nuclide, Db. The obtained decay properties of Bh and Db are consistent with those observed in the 113 chain, which provided further confirmation of the discovery of 113.