| Item type |
Journal Article(1) |
| 公開日 |
2020-09-04 |
| 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 |
| 作成者(その他言語) |
Futamura, Ryusuke
Takasaki, Yuma
Otsuka, Hayato
Ozeki, Sumio
Kaneko, Katsumi
Iiyama, Taku
|
| 公開者(その他言語) |
|
|
|
姓名 |
Elsevier |
| 書誌情報 |
Journal of Molecular Liquids
巻 311,
号 1,
p. 113321,
発行日 2020-08-01
|
| 言語 |
|
|
言語 |
eng |
| キーワード |
|
|
主題Scheme |
Other |
|
主題 |
Magnetic ionic liquids |
| キーワード |
|
|
主題Scheme |
Other |
|
主題 |
X-ray scattering |
| キーワード |
|
|
主題Scheme |
Other |
|
主題 |
Hybrid reverse Monte Carlo simulation |
| キーワード |
|
|
主題Scheme |
Other |
|
主題 |
Coordination structure |
| キーワード |
|
|
主題Scheme |
Other |
|
主題 |
Antiferromagnetic interaction |
| キーワード |
|
|
主題Scheme |
Other |
|
主題 |
Amorphous structure |
| 資源タイプ |
|
|
資源タイプ識別子 |
http://purl.org/coar/resource_type/c_6501 |
|
資源タイプ |
journal article |
| アクセス権 |
|
|
アクセス権 |
metadata only access |
|
アクセス権URI |
http://purl.org/coar/access_right/c_14cb |
| 内容記述 |
|
|
内容記述タイプ |
Other |
|
内容記述 |
Published online: 11 May 2020 |
| 内容記述 |
|
|
内容記述タイプ |
Other |
|
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.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. |
| 日付 |
|
|
日付 |
2020-07-08 |
|
日付タイプ |
Created |
| 資源タイプ |
|
|
内容記述タイプ |
Other |
|
内容記述 |
Article |
| その他の資源識別子 |
|
|
内容記述タイプ |
Other |
|
内容記述 |
Journal of Molecular Liquids.311(1):113321(2020) |
| 資源識別子URI |
|
|
識別子 |
http://hdl.handle.net/10091/00022233 |
|
識別子タイプ |
HDL |
| ISSN |
|
|
収録物識別子タイプ |
ISSN |
|
収録物識別子 |
0167-7322 |
| 処理レコードID(総合目録DB) |
|
|
収録物識別子タイプ |
NCID |
|
収録物識別子 |
AA10636062 |
| DOI |
|
|
関連タイプ |
isVersionOf |
|
|
識別子タイプ |
DOI |
|
|
関連識別子 |
https://doi.org/10.1016/j.molliq.2020.113321 |
| 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/ |
| 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/ |
| 著者版フラグ |
|
|
出版タイプ |
AM |
|
出版タイプResource |
http://purl.org/coar/version/c_ab4af688f83e57aa |
https://soar-ir.repo.nii.ac.jp/?action=repository_action_common_download&item_id=21476&item_no=1&attribute_id=65&file_no=1
