Infrared spectra and structures of aniline+–furan and aniline+–phenol : Preference between π-type and σ-type hydrogen-bonded structures
Use this link to cite this item : https://ir.lib.hiroshima-u.ac.jp/00037377
ID | 37377 |
file | |
creator |
Honkawa, Yoshiki
Ohashi, Kazuhiko
Nishi, Nobuyuki
|
NDC |
Chemistry
|
abstract | Infrared photodissociation spectra of aniline+–M (M=thiophene, furan and phenol) are measured in the 2700–3700 cm−1 region and analyzed by density functional theory calculations. Only a structure involving a π-type hydrogen bond is found for aniline+–thiophene. Two structural isomers are identified for aniline+–furan and aniline+–phenol, which have either a π-type or a σ-type hydrogen bond, where an amino proton of aniline+ interacts with the π-electrons or the oxygen atom of the neutral molecules, respectively. The isomer with a σ-type hydrogen bond is more stable for aniline+–phenol, while less stable for aniline+–furan.
|
journal title |
Chemical Physics Letters
|
volume | Volume 376
|
issue | Issue 1-2
|
start page | 244
|
end page | 250
|
date of issued | 2003-07-17
|
publisher | Elsevier B.V.
|
issn | 0009-2614
|
publisher doi | |
language |
eng
|
nii type |
Journal Article
|
HU type |
Journal Articles
|
DCMI type | text
|
format | application/pdf
|
text version | author
|
rights | Copyright (c) 2003 Elsevier B.V.
|
relation is version of URL | http://dx.doi.org/10.1016/S0009-2614(03)00985-0
|
department |
Graduate School of Science
|