このエントリーをはてなブックマークに追加
ID 41288
file
creator
Sasaki, Yuu
Horikawa, Yuka
Tokushima, Takashi
Oura, Masaki
NDC
Chemistry
abstract
The hydration structure of trimethylamine N-oxide (TMAO) in aqueous solutions has been investigated by means of soft X-ray spectroscopy and chemometric analysis. Soft X-ray absorption spectra in the O 1s region have a concentration-dependent shoulder at 533 eV, which is assigned to the 6a1 resonance of TMAO. Soft X-ray emission spectra acquired at this resonance comprise both TMAO and water components, with a prominent peak at 525.6 eV which is assigned to the emission caused by the 5e to O 1s transition. An apparent inverse concentration dependence of around 523 eV suggests that the electronic structure of water is modified by the strong interaction with TMAO. Such an effect has been included in the quantitative spectral analysis, called the classical least squares regression method, to obtain information on the hydration structure of the system. The analysis indicates that nine or more water molecules interact with a TMAO molecule. The present method offers a useful technique for probing the solvation structure around the solute which interacts strongly with the solvent.
journal title
Physical Chemistry Chemical Physics
volume
Volume 18
issue
Issue 39
start page
27648
end page
27653
date of issued
2016-10-21
publisher
Royal Society of Chemistry
issn
1463-9076
publisher doi
language
eng
nii type
Journal Article
HU type
Journal Articles
DCMI type
text
format
application/pdf
text version
publisher
rights
Copyright (c) the Owner Societies 2016
Open Access Article. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
relation is version of URL
http://doi.org/10.1039/C6CP03750J
department
Graduate School of Science