2024-03-29T12:56:05Z
https://soar-ir.repo.nii.ac.jp/oai
oai:soar-ir.repo.nii.ac.jp:00021476
2022-12-14T04:38:15Z
1169:1170
Configurational evidence for antiferromagnetic interaction in disordered magnetic ionic liquids by X-ray scattering-aided hybrid reverse Monte Carlo simulation
Futamura, Ryusuke
Takasaki, Yuma
Otsuka, Hayato
Ozeki, Sumio
Kaneko, Katsumi
Iiyama, Taku
Magnetic ionic liquids
X-ray scattering
Hybrid reverse Monte Carlo simulation
Coordination structure
Antiferromagnetic interaction
Amorphous structure
Published online: 11 May 2020
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.
Article
Journal of Molecular Liquids.311(1):113321(2020)
journal article
Elsevier
2020-08-01
application/pdf
Journal of Molecular Liquids
1
311
113321
0167-7322
AA10636062
https://soar-ir.repo.nii.ac.jp/record/21476/files/Journal_of_Molecular_Liquids311-1_113321.pdf
eng
10.1016/j.molliq.2020.113321
https://doi.org/10.1016/j.molliq.2020.113321
© 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/