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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



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