Quasi-elastic neutron scattering studies on fast dynamics of water molecules in tetra-n-butylammonium bromide semiclathrate hydrate

Shimada, Jin; Tani, Atsushi; Yamada, Takeshi; Sugahara, Takeshi; Hirai, Takayuki; Okuchi, Takuo

doi:https://doi.org/10.1063/5.0157560

Quasi-elastic neutron scattering studies on fast dynamics of water molecules in tetra-n-butylammonium bromide semiclathrate hydrate

Shimada, Jin; Tani, Atsushi; Yamada, Takeshi et al.

Applied Physics Letters, 2023, 123(4), 50

Number of Access:204（2025-04-10 00:29 Counts）

Identifier to cite or link to this item: https://hdl.handle.net/11094/92402

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Title	Quasi-elastic neutron scattering studies on fast dynamics of water molecules in tetra-n-butylammonium bromide semiclathrate hydrate
Creator	CreatorName Shimada, Jin
	NRID 1000010335333 1000010335333 CreatorName Tani, Atsushi
	NRID 1000080512318 1000080512318 CreatorName Yamada, Takeshi
	NRID 1000020335384 1000020335384 ORCID 0000-0002-5236-5605 0000-0002-5236-5605 researchmap permalink read0191169 read0191169 Scopus Author ID 56212469300 56212469300 CreatorName Sugahara, Takeshi
	NRID 1000080208800 1000080208800 researchmap permalink read0013780 read0013780 Scopus Author ID 7402768651 7402768651 CreatorName Hirai, Takayuki
	NRID 1000040303599 1000040303599 CreatorName Okuchi, Takuo
Description	Shimada Jin, Tani Atsushi, Yamada Takeshi, et al. "Quasi-elastic neutron scattering studies on fast dynamics of water molecules in tetra-n-butylammonium bromide semiclathrate hydrate", Applied Physics Letters 123, 50 (2023) https://doi.org/10.1063/5.0157560.
Abstract	The dynamics of the water molecules in tetra-n-butyl-d36-ammonium bromide semiclathrate hydrate were investigated by quasi-elastic neutron scattering (QENS). The QENS results clearly revealed afast reorientation motion of water molecules in the temperature range of 212–278 K. The mean jumpdistance of hydrogen atoms was within 1.5‒2.0 Å. The relaxation time of water reorientation wasestimated to be 100‒410 ps with activation energy of 10.2±5.8 kJ·mol-1. The activation energy wasin good agreement with the cleavage energy of hydrogen bonds. Such a short relaxation time ofwater reorientation is possibly due to strong interaction between a bromide anion and its surroundingwater molecules (similar to so-called negative hydration), which suggests a unique strategy fordesigning efficient, safe, and inexpensive proton conductors having the framework of semiclathratehydrates.
Publisher	AIP Publishing
Source Title	Applied Physics Letters
Volume (Issue)	123(4)
Page	50
Date of Issued	2023-07-26
Language	English
Handle URL	https://hdl.handle.net/11094/92402
PISSN	00036951
eISSN	10773118
NCID	AA11868096
Relation.isVersionOf	DOI (Publisher Version) https://doi.org/10.1063/5.0157560
Relation.hasVersion	HDL https://hdl.handle.net/11094/92418
Access Rights	open access
CopyRight	This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Jin Shimada, Takeshi Yamada, Takeshi Sugahara, Takayuki Hirai, and Takuo Okuchi, "Quasi-elastic neutron scattering studies on fast dynamics of water molecules in tetra-n-butylammonium bromide semiclathrate hydrate", Applied Physics Letters 123, 50 (2023) and may be found at https://doi.org/10.1063/5.0157560.
oaire:version	Accepted Manuscript
Category	学術雑誌論文 Journal Article

Resource Type	journal article
Local Type	Journal Article
DCMI Type	Text
DCTERMS.bibliographicCitation	Applied Physics Letters. 2023, 123(4), p. 50
DC.title	Quasi-elastic neutron scattering studies on fast dynamics of water molecules in tetra-n-butylammonium bromide semiclathrate hydrate
DC.creator	Shimada, Jin
	Tani, Atsushi
	Yamada, Takeshi
	Sugahara, Takeshi
	Hirai, Takayuki
	Okuchi, Takuo
DC.publisher	AIP Publishing
DC.language' scheme='DCTERMS.RFC1766	English
DC.type' scheme='DCTERMS.DCMIType	Text
DCTERMS.issued' scheme='DCTERMS.W3CDTF	2023-07-26
DC.identifier	https://doi.org/10.1063/5.0157560
DC.identifier' scheme='DCTERMS.URI	https://hdl.handle.net/11094/92418
DC.description	Shimada Jin, Tani Atsushi, Yamada Takeshi, et al. "Quasi-elastic neutron scattering studies on fast dynamics of water molecules in tetra-n-butylammonium bromide semiclathrate hydrate", Applied Physics Letters 123, 50 (2023) https://doi.org/10.1063/5.0157560.
DCTERMS.abstract	The dynamics of the water molecules in tetra-n-butyl-d36-ammonium bromide semiclathrate hydrate were investigated by quasi-elastic neutron scattering (QENS). The QENS results clearly revealed afast reorientation motion of water molecules in the temperature range of 212–278 K. The mean jumpdistance of hydrogen atoms was within 1.5‒2.0 Å. The relaxation time of water reorientation wasestimated to be 100‒410 ps with activation energy of 10.2±5.8 kJ·mol-1. The activation energy wasin good agreement with the cleavage energy of hydrogen bonds. Such a short relaxation time ofwater reorientation is possibly due to strong interaction between a bromide anion and its surroundingwater molecules (similar to so-called negative hydration), which suggests a unique strategy fordesigning efficient, safe, and inexpensive proton conductors having the framework of semiclathratehydrates.
DC.rights	This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Jin Shimada, Takeshi Yamada, Takeshi Sugahara, Takayuki Hirai, and Takuo Okuchi, "Quasi-elastic neutron scattering studies on fast dynamics of water molecules in tetra-n-butylammonium bromide semiclathrate hydrate", Applied Physics Letters 123, 50 (2023) and may be found at https://doi.org/10.1063/5.0157560.
DC.format	92402
citation_title	Quasi-elastic neutron scattering studies on fast dynamics of water molecules in tetra-n-butylammonium bromide semiclathrate hydrate
citation_author	Shimada, Jin
	Tani, Atsushi
	Yamada, Takeshi
	Sugahara, Takeshi
	Hirai, Takayuki
	Okuchi, Takuo
citation_publisher	AIP Publishing
citation_language	English
citation_date	2023-07-26
citation_journal_title	Applied Physics Letters
citation_volume	123
citation_issue	4
citation_firstpage	50
citation_doi	https://doi.org/10.1063/5.0157560
citation_public_url	https://hdl.handle.net/11094/92402

Quasi-elastic neutron scattering studies on fast dynamics of water molecules in tetra-n-butylammonium bromide semiclathrate hydrate

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