Infrared photodissociation spectroscopy of protonated formic acid-water binary clusters, H+·(HCOOH)n·H2O (n = 1-5). Spectroscopic study of ion core switch model and magic number
Use this link to cite this item : https://ir.lib.hiroshima-u.ac.jp/00014731
ID | 14731 |
file | |
creator |
Nishi, Nobuyuki
|
NDC |
Chemistry
|
abstract | Infrared spectra of protonated formic acid-water binary clusters, H+·(HCOOH)n·H2O (n = 1-5), are investigated by infrared photodissociation spectroscopy and ab initio molecular orbital calculations. The asymmetric OH stretching vibration of water is observed in the infrared photodissociation spectra of the clusters with n = 1-3; it disappears in the spectra of the n=4 and 5 clusters. On detailed comparison of the observed infrared spectra with calculated ones, the most stable geometric structures are obtained for the n = 1-5 clusters. These results suggest that the clusters switch the ion cores from HCOOH2+ for n = 1-3 to H3O+ for n = 4 and 5. The n = 5 cluster has a cyclic-type structure; the H3O+ ion core is fully surrou and stabilized by five formic acid molecules. This characteristic nature produces a magic number of the n = 5 cluster.
|
description | This is a preprint of an article published by American Chemical Society in Journal of Physical Chemistry A, 2002, available online: http://pubs.acs.org/doi/abs/10.1021/jp014432n
|
journal title |
Journal of Physical Chemistry A
|
volume | Volume 106
|
issue | Issue 18
|
start page | 4529
|
end page | 4535
|
date of issued | 2002-05-09
|
publisher | American Chemical Society
|
issn | 1089-5639
|
publisher doi | |
language |
eng
|
nii type |
Journal Article
|
HU type |
Journal Articles
|
DCMI type | text
|
format | application/pdf
|
text version | author
|
rights | Copyright (c) 2002 American Chemical Society
|
relation is version of URL | http://dx.doi.org/10.1021/jp014432n
|
department |
Graduate School of Science
|
Last 12 months's access : ? times
Last 12 months's DL: ? times
This month's access: ? times
This month's DL: ? times