| Item type |
学術雑誌論文 / Journal Article(1) |
| 公開日 |
2020-07-08 |
| タイトル |
|
|
タイトル |
Configurational evidence for antiferromagnetic interaction in disordered magnetic ionic liquids by X-ray scattering-aided hybrid reverse Monte Carlo simulation |
| 言語 |
|
|
言語 |
eng |
| DOI |
|
|
|
関連識別子 |
https://doi.org/10.1016/j.molliq.2020.113321 |
|
|
関連名称 |
10.1016/j.molliq.2020.113321 |
| キーワード |
|
|
主題 |
Magnetic ionic liquids, X-ray scattering, Hybrid reverse Monte Carlo simulation, Coordination structure, Antiferromagnetic interaction, Amorphous structure |
| 資源タイプ |
|
|
資源 |
http://purl.org/coar/resource_type/c_6501 |
|
タイプ |
journal article |
| 著者 |
Futamura, Ryusuke
Takasaki, Yuma
Otsuka, Hayato
Ozeki, Sumio
Kaneko, Katsumi
Iiyama, Taku
|
| 信州大学研究者総覧へのリンク |
|
|
氏名 |
Futamura, Ryusuke |
|
URL |
https://soar-rd.shinshu-u.ac.jp/profile/ja.bmkUOFyC.html |
| 信州大学研究者総覧へのリンク |
|
|
氏名 |
Ozeki, Sumio |
|
URL |
https://soar-rd.shinshu-u.ac.jp/profile/ja.WayVjVye.html |
| 信州大学研究者総覧へのリンク |
|
|
氏名 |
Kaneko, Katsumi |
|
URL |
https://soar-rd.shinshu-u.ac.jp/profile/ja.HafNZVyC.html |
| 信州大学研究者総覧へのリンク |
|
|
氏名 |
Iiyama, Taku |
|
URL |
https://soar-rd.shinshu-u.ac.jp/profile/ja.uFnUOakh.html |
| 出版者 |
|
|
出版者 |
Elsevier |
| 引用 |
|
|
内容記述 |
Journal of Molecular Liquids.311(1):113321(2020) |
| 書誌情報 |
Journal of Molecular Liquids
巻 311,
号 1,
p. 113321,
発行日 2020-08-01
|
| 内容記述 |
|
|
内容記述タイプ |
Other |
|
内容記述 |
Published online: 11 May 2020 |
| 抄録 |
|
|
内容記述 |
Magnetic ionic liquids (MIL) are a new type of ionic liquids that show paramagnetic response to magnetic fields. Here, we elucidate a plausible 3D liquid structure of the 1-ethyl-3-methyl-imidazolium tetrachloroferate (Emim[FeCl4]) and 1-butyl-3-methyl-imidazolium tetrachloroferate (Bmim[FeCl4]) MILs by X-ray scattering-aided hybrid reverse Monte Carlo simulations. Bmim[FeCl4] showed anomalously continuous structural changes over a wide temperature range (90–523 K) without crystallization, while Emim[FeCl4] displayed a melting point at 291 K with no glass transition.<br/>Conventional electron radial distribution function (ERDF) analysis provides misleading information about the structures of these MILs due to the mutual cancelation of the partial anion-anion and anion-cation ERDFs. Subsequent hybrid reverse Monte Carlo (HRMC) analysis revealed the precise coordination structures of both ionic liquids, and the alternating periodic arrangement of the anions and cations was visualized based on the HRMC simulation results. The results clearly revealed that the 1st coordination structure of the FeCl4 anion around the Bmim cation was widespread compared to that of the Emim cation, resulting in the absence of crystallization. In addition, we obtained new insights into the antiferromagnetic interaction between the FeCl4− ions of Bmim[FeCl4] even in the absence of the crystallization at low temperatures. Our results shed new light on the development of MILs not only for practical applications but also for the advancing the basic science of pure liquids with a high magnetic response. |
| 資源タイプ（コンテンツの種類） |
|
| ISSN |
|
|
収録物識別子タイプ |
ISSN |
|
収録物識別子 |
0167-7322 |
| 書誌レコードID |
|
|
収録物識別子タイプ |
NCID |
|
収録物識別子 |
AA10636062 |
| 権利 |
|
|
権利情報 |
© 2020. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/ |
| 出版タイプ |
|
|
出版タイプ |
AM |
|
出版タイプResource |
http://purl.org/coar/version/c_ab4af688f83e57aa |
Journal_of_Molecular_Liquids311-1_113321.pdf (1.4 MB)
