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ID 23066
file
creator
Tamenori, Y.
Arakawa, S.
Tabayashi, Kiyohiko
Gejo, T.
Honma, K.
NDC
Chemistry
description
Hydrogen bonding in methanol clusters has been investigated by using inner-shell photoabsorption spectroscopy and density functional theory (DFT) calculations in the carbon and oxygen K-edge regions. The partial-ion-yield (PIY) curves of H(CH3OH)n+ were measured as the soft X-ray absorption spectra of methanol clusters. The first resonance peak in the PIY curves, which is assigned to the σ*(O–H) resonance transition, exhibits a 1.20-eV blue-shift relative to the total-ion-yield (TIY) curves of molecular methanol in the oxygen K-edge region, while it exhibits a shift of only 0.25 eV in the carbon K-edge region. Decreased intensities of the transitions to higher Rydberg orbitals were observed in the PIY curves of the clusters. The drastic change in the σ*(O–H) resonance transition is interpreted by the change in the character of the σ*(O–H) molecular orbital at the H-donating OH site due to the hydrogen-bonding (HB) interaction.
journal title
Journal of Chemical Physics
volume
Volume 128
issue
Issue 12
start page
124321
date of issued
2008-03-31
publisher
American Institute of Physics
issn
0021-9606
ncid
publisher doi
language
eng
nii type
Journal Article
HU type
Journal Articles
DCMI type
text
format
application/pdf
text version
author
rights
Copyright (c) 2008 American Institute of Physics
relation is version of URL
http://dx.doi.org/10.1063/1.2898536
department
Graduate School of Science