| アイテムタイプ |
研究者データベースシステム連携 / Researcher Database System(1) |
| 公開日 |
2026-03-06 |
| タイトル |
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タイトル |
High-Pressure Behaviors of Hydrogen Bonds in Fluorine-Doped Brucite |
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言語 |
en |
| 言語 |
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言語 |
eng |
| キーワード |
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言語 |
en |
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主題Scheme |
Other |
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主題 |
brucite |
| キーワード |
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言語 |
en |
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主題Scheme |
Other |
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主題 |
hydrogen bond |
| キーワード |
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言語 |
en |
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主題Scheme |
Other |
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主題 |
high pressure |
| キーワード |
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言語 |
en |
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主題Scheme |
Other |
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主題 |
neutron diffraction |
| キーワード |
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言語 |
en |
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主題Scheme |
Other |
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主題 |
Raman spectroscopy |
| キーワード |
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言語 |
en |
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主題Scheme |
Other |
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主題 |
infrared spectroscopy |
| 資源タイプ |
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資源タイプ識別子 |
http://purl.org/coar/resource_type/c_6501 |
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資源タイプ |
journal article |
| アクセス権 |
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アクセス権 |
open access |
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アクセス権URI |
http://purl.org/coar/access_right/c_abf2 |
| 著者 |
HE, Xuejing
| en |
HE, Xuejing
Geochemical Research Center, Graduate School of Science, The University of Tokyo
|
Search repository
KAGI, Hiroyuki
| en |
KAGI, Hiroyuki
Geochemical Research Center, Graduate School of Science, The University of Tokyo
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Search repository
KOMATSU, Kazuki
| en |
KOMATSU, Kazuki
Geochemical Research Center, Graduate School of Science, The University of Tokyo
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Search repository
SANO-FURUKAWA, Asami
ABE, Jun
| en |
ABE, Jun
Neutron Science and Technology Center, Comprehensive Research Organization for Science and Society (CROSS)
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Search repository
FUKUYAMA, Ko
SHINMEI, Toru
NAKANO, Satoshi
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| 抄録 |
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内容記述タイプ |
Abstract |
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内容記述 |
Brucite, Mg(OH)2 (P3̅m1, Z = 1), is a prototype material for studying hydrogen bonds in solid hydroxides. In this study, substitutional effects of fluorine (F) on the hydrogen-bonding geometries of hydrogenated and deuterated brucite were investigated under ambient conditions and at high pressure using combined experimental methods of neutron powder diffraction, Raman spectroscopy, and infrared (IR) spectroscopy. Under ambient conditions, neutron powder diffraction results showed that F substitution decreased the donor-acceptor distance and increased the hydroxyl covalent bond lengths of both hydrogenated and deuterated brucite, strengthening the hydrogen bond. Red shifts of the hydroxyl stretching modes also indicated an elongation of d(O-H) and d(O-D). High-pressure neutron diffraction experiments were performed on Mg(OH)1.81F0.19 and Mg(OD)1.74F0.26 up to 7.04 and 10.02 GPa, respectively. For both samples, changes in the hydrogen-bonding geometries did not indicate hydrogen-bond strengthening under high pressure. Compared with Mg(OD)2, the doping of F suppressed the increase of the hydroxyl covalent bond length, the hydrogen-bond angle, and the cone angle, inhibiting pressure-induced hydrogen-bond strengthening. High-pressure Raman and IR absorption spectroscopic measurements on Mg(OD)2 and Mg(OD)1.79F0.21 up to 9.7 and 13.7 GPa confirmed that F substitution restrains pressure-induced hydroxyl elongation. |
|
言語 |
en |
| 書誌情報 |
en : Inorganic Chemistry
巻 63,
号 47,
p. 22349-22360,
発行日 2024-11-11
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| 出版者 |
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出版者 |
American Chemical Society (ACS) |
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言語 |
en |
| ISSN |
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収録物識別子タイプ |
PISSN |
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収録物識別子 |
0020-1669 |
| 書誌レコードID |
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収録物識別子タイプ |
NCID |
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収録物識別子 |
AA00675432 |
| PubMed番号 |
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関連タイプ |
isVersionOf |
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識別子タイプ |
PMID |
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関連識別子 |
39527840 |
| DOI |
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関連タイプ |
isVersionOf |
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識別子タイプ |
DOI |
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関連識別子 |
https://doi.org/10.1021/acs.inorgchem.4c02676 |
| 権利情報 |
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権利情報 |
This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright © 2024 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.inorgchem.4c02676. |
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言語 |
en |
| 著者版フラグ |
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出版タイプ |
AM |
|
出版タイプResource |
http://purl.org/coar/version/c_ab4af688f83e57aa |
Accepted Manuscript_AA00675432_63_47_22349-22360.pdf (2.2 MB)
