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Structure and dynamics of room temperature ionic liquids with bromide anion: Results from 81Br NMR spectroscopy
http://hdl.handle.net/2297/42198
http://hdl.handle.net/2297/42198d53329c0-32ba-4914-9737-17074e65efb3
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
SC-PR-ENDO-T-369.pdf (1.6 MB)
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| Item type | 学術雑誌論文 / Journal Article(1) | |||||
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| 公開日 | 2017-10-03 | |||||
| タイトル | ||||||
| タイトル | Structure and dynamics of room temperature ionic liquids with bromide anion: Results from 81Br NMR spectroscopy | |||||
| 言語 | ||||||
| 言語 | eng | |||||
| 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 | |||||
| 著者 |
Endo, Takatsugu
× Endo, Takatsugu× Imanari, Mamoru× Hidaka, Yuki× Seki, Hiroko× Nishikawa, Keiko× Sen, Sabyasachi |
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| 書誌情報 |
Magnetic Resonance in Chemistry 巻 53, 号 5, p. 369-378, 発行日 2015-05-01 |
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| ISSN | ||||||
| 収録物識別子タイプ | ISSN | |||||
| 収録物識別子 | 0749-1581 | |||||
| NCID | ||||||
| 収録物識別子タイプ | NCID | |||||
| 収録物識別子 | AA10525152 | |||||
| DOI | ||||||
| 関連タイプ | isVersionOf | |||||
| 識別子タイプ | DOI | |||||
| 関連識別子 | 10.1002/mrc.4208 | |||||
| 出版者 | ||||||
| 出版者 | John Wiley and Sons | |||||
| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 内容記述 | We report the results of a comprehensive 81Br NMR spectroscopic study of the structure and dynamics of two room temperature ionic liquids (RTILs), 1-butyl-3-methylimidazolium bromide ([C<inf>4</inf>mim]Br) and 1-butyl-2,3-dimethylimidazolium bromide ([C<inf>4</inf>C<inf>1</inf>mim]Br), in both liquid and crystalline states. NMR parameters in the gas phase are also simulated for stable ion pairs using quantum chemical calculations. The combination of 81Br spin-lattice and spin-spin relaxation measurements in the motionally narrowed region of the stable liquid state provides information on the correlation time of the translational motion of the cation. 81Br quadrupolar coupling constants (C<inf>Q</inf>) of the two RTILs were estimated to be 6.22 and 6.52 MHz in the crystalline state which were reduced by nearly 50% in the liquid state, although in the gas phase, the values are higher and span the range of 7-53 MHz depending on ion pair structure. The C<inf>Q</inf> can be correlated with the distance between the cation-anion pairs in all the three states. The 81Br C<inf>Q</inf> values of the bromide anion in the liquid state indicate the presence of some structural order in these RTILs, the degree of which decreases with increasing temperature. On the other hand, the ionicity of these RTILs is estimated from the combined knowledge of the isotropic chemical shift and the appropriate mean energy of the excited state. [C<inf>4</inf>C<inf>1</inf>mim]Br has higher ionicity than [C<inf>4</inf>mim]Br in the gas phase, while the situation is reverse for the liquid and the crystalline states. Copyright © 2015 John Wiley & Sons, Ltd. | |||||
| 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 | |||||
