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Journal Articles

Slightly hydrogen-ordered state of ice IV evidenced by ${it in situ}$ neutron diffraction

Kobayashi, Hiroki*; Komatsu, Kazuki*; Ito, Hayate*; Machida, Shinichi*; Hattori, Takanori; Kagi, Hiroyuki*

Journal of Physical Chemistry Letters (Internet), 14(47), p.10664 - 10669, 2023/11

 Times Cited Count:1 Percentile:0.01(Chemistry, Physical)

Ice IV is a metastable high-pressure phase of ice in which the water molecules exhibit orientational disorder. Although orientational ordering is commonly observed for other ice phases, it has not been reported for ice IV. We conducted ${it in situ}$ powder neutron diffraction experiments for DCl-doped D$$_{2}$$O ice IV to investigate hydrogen ordering in ice IV. We found abrupt changes in the temperature derivative of unit cell volume, dV/dT, at about 120 K, and revealed their slightly ordered structure at low temperatures based on the Rietveld method. The occupancy of the D1 site deviates from 0.5; it increased when samples were cooled at higher pressures and reached 0.282(5) at 2.38 GPa, 58 K. Our results evidence the presence of a low-symmetry hydrogen-ordered state corresponding to ice IV. It seems, however, difficult to experimentally access the completely ordered phase corresponding to ice IV by slow cooling at high pressure.

Journal Articles

Site-specific relaxation of peptide bond planarity induced by electrically attracted proton/deuteron observed by neutron crystallography

Chiba, Kaori*; Matsui, Takuro*; Chatake, Toshiyuki*; Ohara, Takashi; Tanaka, Ichiro*; Yutani, Katsuhide*; Niimura, Nobuo*

Protein Science, 32(10), p.e4765_1 - e4765_13, 2023/10

 Times Cited Count:0 Percentile:0(Biochemistry & Molecular Biology)

Journal Articles

Single-crystal structure analysis of non-deuterated triglycine sulfate by neutron diffraction at 20 and 298 K; A New disorder model for the 298 K structure

Terasawa, Yukana*; Ohara, Takashi; Sato, Sota*; Yoshida, Satoshi*; Asahi, Toru*

Acta Crystallographica Section E; Crystallographic Communications (Internet), 78(3), p.306 - 312, 2022/03

Journal Articles

Insights into proton dynamics in a photofunctional salt-cocrystal continuum; Single-crystal X-ray, neutron diffraction, and Hirshfeld atom refinement

Yano, Yoshio*; Ono, Toshikazu*; Ohara, Takashi; Hisaeda, Yoshio*

Chemistry; A European Journal, 27(71), p.17802 - 17807, 2021/12

 Times Cited Count:4 Percentile:29.59(Chemistry, Multidisciplinary)

Journal Articles

Programmable synthesis of silver wheels

Kwon, H.*; Pietrasiak, E.*; Ohara, Takashi; Nakao, Akiko*; Chae, B.*; Hwang, C.-C.*; Jung, D.*; Hwang, I.-C.*; Ko, Y. H.*; Kim, K.*; et al.

Inorganic Chemistry, 60(9), p.6403 - 6409, 2021/05

 Times Cited Count:0 Percentile:0.01(Chemistry, Inorganic & Nuclear)

Journal Articles

High oxide-ion conductivity in Si-deficient La$$_{9.565}$$(Si$$_{5.826}$$[]$$_{0.174}$$)O$$_{26}$$ apatite without interstitial oxygens due to the overbonded channel oxygens

Fujii, Kotaro*; Yashima, Masatomo*; Hibino, Keisuke*; Shiraiwa, Masahiro*; Fukuda, Koichiro*; Nakayama, Susumu*; Ishizawa, Nobuo*; Hanashima, Takayasu*; Ohara, Takashi

Journal of Materials Chemistry A, 6(23), p.10835 - 10846, 2018/06

 Times Cited Count:27 Percentile:69.76(Chemistry, Physical)

Journal Articles

Non-aqueous selective synthesis of orthosilicic acid and its oligomers

Igarashi, Masayasu*; Matsumoto, Tomohiro*; Yagihashi, Fujio*; Yamashita, Hiroshi*; Ohara, Takashi; Hanashima, Takayasu*; Nakao, Akiko*; Moyoshi, Taketo*; Sato, Kazuhiko*; Shimada, Shigeru*

Nature Communications (Internet), 8, p.140_1 - 140_8, 2017/07

 Times Cited Count:25 Percentile:63.68(Multidisciplinary Sciences)

Journal Articles

Proton order-disorder phenomena in a hydrogen-bonded rhodium-$$eta$$$$^{5}$$-semiquinone complex; A Possible dielectric response mechanism

Mitsumi, Minoru*; Ezaki, Kazunari*; Komatsu, Yuki*; Toriumi, Koshiro*; Miyato, Tatsuya*; Mizuno, Motohiro*; Azuma, Nobuaki*; Miyazaki, Yuji*; Nakano, Motohiro*; Kitagawa, Yasutaka*; et al.

Chemistry; A European Journal, 21(27), p.9682 - 9696, 2015/06

 Times Cited Count:7 Percentile:24.93(Chemistry, Multidisciplinary)

Journal Articles

Recent advance of the neutron crystal chemistry by using high intensity neutron beam at J-PARC

Ohara, Takashi

Nihon Kessho Gakkai-Shi, 56(5), p.301 - 306, 2014/10

no abstracts in English

Oral presentation

Proton conduction mechanism and phase transition of (Rb,K)$$_{3}$$H(SeO$$_{4}$$)$$_{2}$$

Kiyanagi, Ryoji; Matsuo, Yasumitsu*; Ishikawa, Yoshihisa*; Noda, Yukio*; Ohara, Takashi; Kawasaki, Takuro; Oikawa, Kenichi; Kaneko, Koji; Tamura, Itaru; Hanashima, Takayasu*; et al.

no journal, , 

The materials represented as M$$_{3}$$H(XO$$_{4}$$)$$_{2}$$ (M=alkali metals, X=Se, S) are known to exhibit high protonic conductivities at relatively low temperature. Although the high protonic conductivity is considered to be due to the disorder of the hydrogen bonds in the materials, details have not been well understood. In addition, clarification of the phase transition to the high proton conducting phase is important in order to understand the realization of the high protonic conductivity. In this study, a high temperature neutron structural study was carried out on Rb$$_{3}$$H(SeO$$_{4}$$)$$_{2}$$, and the solid solution of Rb$$_{3-x}$$K$$_{x}$$H(SeO$$_{4}$$)$$_{2}$$ were also investigated by means of conductivity measurements and neutron structural studies. The high temperature neutron structure analyses revealed that the protons in the high proton conducting phase were two dimensionally distributed, which is considered to be the direct observation of the conducting protons. The solid solution exhibited non-linear decreases of the phase transition temperatures as the K concentration increased. The K ions were found to prefer to occupy one of two possible sites, of which occupancies apparently have close relationship with the phase transition temperature.

Oral presentation

Oral presentation

Study of 2-(2'-hydroxyphenyl)benzimidazole by single crystal neutron diffraction at SENJU

Ohara, Takashi; Kiyanagi, Ryoji; Hanashima, Takayasu*; Moyoshi, Taketo*; Nakao, Akiko*; Munakata, Koji*; Kuroda, Tetsuya*

no journal, , 

no abstracts in English

Oral presentation

Single crystal neutron diffraction study of a crystalline-state photoisomerization by using a new TOF-Laue neutron diffractometer SENJU at J-PARC

Ohara, Takashi; Kiyanagi, Ryoji; Oikawa, Kenichi; Kawasaki, Takuro; Kaneko, Koji; Tamura, Itaru; Nakao, Akiko*; Hanashima, Takayasu*; Munakata, Koji*

no journal, , 

Oral presentation

Development of a cryostat for in situ photo crystallography on a single crystal diffractometer SENJU

Ohara, Takashi; Hanashima, Takayasu*; Munakata, Koji*; Moyoshi, Taketo*; Kiyanagi, Ryoji; Nakao, Akiko*; Kuroda, Tetsuya*

no journal, , 

no abstracts in English

Oral presentation

Single crystal structure analysis using neutron source; SENJU at J-PARC

Ohara, Takashi

no journal, , 

no abstracts in English

Oral presentation

16 (Records 1-16 displayed on this page)
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