| 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 |
|
|
タイトル |
Structures of (3n-crown-n)-Phenol (n=4, 5, 6, 8) Host-Guest Complexes : Formation of a Uniquely Stable Complex for n=6 via Collective Intermolecular Interaction |
|
言語 |
en |
| 作成者 |
Kusaka, Ryoji
Inokuchi, Yoshiya
Haino, Takeharu
Ebata, Takayuki
|
| アクセス権 |
|
|
アクセス権 |
open access |
|
アクセス権URI |
http://purl.org/coar/access_right/c_abf2 |
| 権利情報 |
|
|
権利情報 |
Copyright (c) 2012 American Chemical Society |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
phenol |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
crown ethers |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
host-guest complex |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
molecular recognition |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
lock and key |
| 主題 |
|
|
主題Scheme |
NDC |
|
主題 |
430 |
| 内容記述 |
|
|
内容記述 |
Structures of crown-phenol 1:1 host-guest complexes, 3n-crown-n [12C4(n=4), 15C5(n=5), 18C6(n=6), 24C8(n=8)], in the gas phase have been studied by various laser spectroscopic methods. The S1-S0 electronic spectra identified 3, 2, 1, and 2 isomers for the complexes of 12C4, 15C5, 18C6, and 24C8, respectively, suggesting that only 18C6-phenol forms one uniquely stable complex. The IR spectra in the phenolic OH and CH stretch regions indicate that these complexes form the O・・・HO hydrogen bond and the benzene ring is involved in the complex formation. Theoretical analysis with molecular mechanics and density functional theory calculations also supports one considerably stable isomer for 18C6-phenol. The most stable 18C6-phenol isomer is largely stabilized through collective intermolecular interaction consisting of O・・・HO hydrogen bond, CH・・・π, and O・・・HC(aromatic) so that phenol is inserted into the cavity of a particular conformation of 18C6 like a “lock and key". |
|
言語 |
en |
| 内容記述 |
|
|
内容記述タイプ |
Other |
|
内容記述 |
This is a preprint of an article published by American Chemical Society in The Journal of Physical Chemistry Letters, 2012, available online: http://pubs.acs.org/doi/abs/10.1021/jz300313d. |
| 内容記述 |
|
|
内容記述タイプ |
Other |
|
内容記述 |
R.K. is supported by JSPS Research Fellowships for Young Scientists. T. E. acknowledges support from the Ministry of Education, Culture, Sports, Science, and Technology (MEXT) through a Grant-in-Aid for the Scientific Research on Priority Area “Molecular Science for Supra Functional Systems" (No. 477). Y. I. thanks the support of the JSPS through a Grant-in-Aid (No. 21350016). |
| 出版者 |
|
|
出版者 |
American Chemical Society |
| 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 |
| 出版タイプ |
|
|
出版タイプ |
AO |
|
出版タイプResource |
http://purl.org/coar/version/c_b1a7d7d4d402bcce |
| 関連情報 |
|
|
|
識別子タイプ |
DOI |
|
|
関連識別子 |
10.1021/jz300313d |
| 関連情報 |
|
|
関連タイプ |
isVersionOf |
|
|
識別子タイプ |
DOI |
|
|
関連識別子 |
http://dx.doi.org/10.1021/jz300313d |
| 開始ページ |
|
|
開始ページ |
1414 |
| 書誌情報 |
The Journal of Physical Chemistry Letters
The Journal of Physical Chemistry Letters
巻 3,
号 10,
p. 1414-1420,
発行日 2012-05-17
|
| 旧ID |
37977 |
JPhysChemLett_2012_3_1414.pdf (2.3 MB)
