| Item type |
デフォルトアイテムタイプ_（フル）(1) |
| 公開日 |
2023-03-18 |
| タイトル |
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|
タイトル |
Laser spectroscopic study on (dibenzo-24-crown-8-ether) -water and -methanol complexes in supersonic jets |
|
言語 |
en |
| 作成者 |
Kokubu, Satoshi
Kusaka, Ryoji
Inokuchi, Yoshiya
Haino, Takeharu
Ebata, Takayuki
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| 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 |
| 権利情報 |
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|
権利情報 |
Copyright (c) the Owner Societies 2010 |
| 主題 |
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主題Scheme |
NDC |
|
主題 |
430 |
| 内容記述 |
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内容記述 |
The conformation and complex formation with guest molecules have been investigated for jet-cooled dibenzo-24-crown-8-ether (DB24C8) by laser induced fluorescence (LIF), UV-UV hole-burning (UV-UV HB), and IR-UV double-resonance (IR-UV DR) spectroscopy. The results are compared with the results of dibenzo-18-crown-6-ether (DB18C6) and analyzed by density functional theory (DFT) calculations at the B3LYP/6-31+G* level. Five conformers are identified for DB24C8 under the jet-cooled condition, and the structure of the major isomer is determined to be a boat form, similar to the case of DB18C6. Two molecules (water and methanol) are investigated as the guest species for the encapsulation experiment. DB24C8 hardly encapsulates a water molecule, different from the case of DB18C6 in which a water molecule is efficiently captured. However, it is likely that larger (water)n clusters can be captured in the DB24C8 cavity. The different feature in the complex formation between DB24C8 and DB24C8 with the water molecules are attributed to a larger cavity size of DB24C8 than that of DB18C6. For methanol, two kinds of DB18C6-(methanol)1 isomers are identified by IR-UV double resonance spectroscopy; one is the “OH---π" H-bonded isomer, characteristic of methanol with one OH group, and the other is the “OH---O" H-bonded ones. These results indicate the multiple H-bond formation to the oxygen atoms of the ether ring may play an important role in the complexes of DB24C8 or DB18C6 with water. |
|
言語 |
en |
| 内容記述 |
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|
内容記述タイプ |
Other |
|
内容記述 |
This is a postprint of an article published by Royal Society of Chemistry in Physical Chemistry Chemical Physics, 2010, available online: http://pubs.rsc.org/en/Content/ArticleLanding/2010/CP/b924822f#!divAbstract |
| 出版者 |
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出版者 |
Royal Society of Chemistry |
| 言語 |
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|
言語 |
eng |
| 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 |
|
資源タイプ |
journal article |
| 出版タイプ |
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出版タイプ |
AO |
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出版タイプResource |
http://purl.org/coar/version/c_b1a7d7d4d402bcce |
| 関連情報 |
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|
識別子タイプ |
DOI |
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|
関連識別子 |
10.1039/B924822F |
| 関連情報 |
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|
関連タイプ |
isVersionOf |
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|
識別子タイプ |
DOI |
|
|
関連識別子 |
http://dx.doi.org/10.1039/B924822F |
| 収録物識別子 |
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収録物識別子タイプ |
ISSN |
|
収録物識別子 |
1463-9076 |
| 開始ページ |
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|
開始ページ |
3559 |
| 書誌情報 |
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics
巻 12,
号 14,
p. 3559-3565,
発行日 2010-02-25
|
| 旧ID |
38062 |
PhysChemChemPhys_2010_12_3559.pdf (2.0 MB)
