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https://hdl.handle.net/20.500.14094/90005753
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2024-04-30
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90005753 (fulltext)
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メタデータID
90005753
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open access
出版タイプ
Version of Record
タイトル
High-Temperature Cooperative Spin Crossover Transitions and Single-Crystal Reflection Spectra of [FeIII(qsal)2](CH3OSO3) and Related Compounds
著者
Takahashi, Kazuyuki ; Yamamoto, Kaoru ; Yamamoto, Takashi ; Einaga, Yasuaki ; Shiota, Yoshihito ; Yoshizawa, Kazunari ; Mori, Hatsumi
著者ID
A0027
研究者ID
1000060342953
KUID
https://kuid-rm-web.ofc.kobe-u.ac.jp/search/detail?systemId=5fde9ad32314a811520e17560c007669
著者名
Takahashi, Kazuyuki
高橋, 一志
タカハシ, カズユキ
所属機関名
理学研究科
著者名
Yamamoto, Kaoru
著者名
Yamamoto, Takashi
著者名
Einaga, Yasuaki
著者名
Shiota, Yoshihito
著者名
Yoshizawa, Kazunari
著者名
Mori, Hatsumi
収録物名
Crystals
巻(号)
9(2)
ページ
81-81
出版者
MDPI
刊行日
2019-02-02
公開日
2019-03-29
抄録
New Fe(III) compounds from qsal ligand, [Fe(qsal)2](CH3OSO3) (1) and [Fe(qsal)2](CH3SO3)·CH3OH (3), along with known compound, [Fe(qsal)2](CF3SO3) (2), were obtained as large well-shaped crystals (Hqsal = N-(8-quinolyl)salicylaldimine). The compounds 1 and 2 were in the low-spin (LS) state at 300 K and exhibited a cooperative spin crossover (SCO) transition with a thermal hysteresis loop at higher temperatures, whereas 3 was in the high-spin (HS) state below 300 K. The optical conductivity spectra for 1 and 3 were calculated from the single-crystal reflection spectra, which were, to the best of our knowledge, the first optical conductivity spectra of SCO compounds. The absorption bands for the LS and HS [Fe(qsal)2] cations were assigned by time-dependent density functional theory calculations. The crystal structures of 1 and 2 consisted of a common one-dimensional (1D) array of the [Fe(qsal)2] cation, whereas that of 3 had an unusual 1D arrangement by π-stacking interactions which has never been reported. The crystal structures in the high-temperature phases for 1 and 2 indicate that large structural changes were triggered by the motion of counter anions. The comparison of the crystal structures of the known [Fe(qsal)2] compounds suggests the significant role of a large non-spherical counter-anion or solvate molecule for the total lattice energy gain in the crystal of a charged complex.
キーワード
spin crossover
Fe(III) complex
qsal ligand
thermal hysteresis
structure phase transition
counter-anion
solvate
lattice energy
optical conductivity spectrum
カテゴリ
理学研究科
学術雑誌論文
権利
© 2019 by the authors. Licensee MDPI, Basel, Switzerland.
This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
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資源タイプ
journal article
言語
English (英語)
eISSN
2073-4352
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関連情報
DOI
https://doi.org/10.3390/cryst9020081
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