Laser spectroscopic study on (dibenzo-24-crown-8-ether) -water and -methanol complexes in supersonic jets
Physical Chemistry Chemical Physics Volume 12 Issue 14
Page 3559-3565
published_at 2010-02-25
アクセス数 : 872 件
ダウンロード数 : 217 件
今月のアクセス数 : 0 件
今月のダウンロード数 : 1 件
この文献の参照には次のURLをご利用ください : https://ir.lib.hiroshima-u.ac.jp/00038062
File |
PhysChemChemPhys_2010_12_3559.pdf
1.99 MB
種類 :
fulltext
|
Title ( eng ) |
Laser spectroscopic study on (dibenzo-24-crown-8-ether) -water and -methanol complexes in supersonic jets
|
Creator |
Kokubu Satoshi
Kusaka Ryoji
|
Source Title |
Physical Chemistry Chemical Physics
|
Volume | 12 |
Issue | 14 |
Start Page | 3559 |
End Page | 3565 |
Abstract |
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.
|
Descriptions |
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
|
NDC |
Chemistry [ 430 ]
|
Language |
eng
|
Resource Type | journal article |
Publisher |
Royal Society of Chemistry
|
Date of Issued | 2010-02-25 |
Rights |
Copyright (c) the Owner Societies 2010
|
Publish Type | Author’s Original |
Access Rights | open access |
Source Identifier |
[ISSN] 1463-9076
[DOI] 10.1039/B924822F
[DOI] http://dx.doi.org/10.1039/B924822F
isVersionOf
|