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Local Electronic Structure of Functional Groups in Glycine As Anion, Zwitterion, and Cation in Aqueous Solution
Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Pharmacy, Department of Pharmacy.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science, Soft X-Ray Physics.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science, Soft X-Ray Physics.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science, Soft X-Ray Physics.
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2009 (English)In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 113, no 49, 16002-16006 p.Article in journal (Refereed) Published
Abstract [en]

Nitrogen and oxygen K emission spectra of glycine in the form of  anions, zwitterions, and cations in aqueous solution are presented. It  is shown that protonation has a dramatic influence on the local   electronic structure and that the functional groups give a distinct  spectral fingerprint.

 

Place, publisher, year, edition, pages
2009. Vol. 113, no 49, 16002-16006 p.
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-121091DOI: 10.1021/jp905998xISI: 000272083000012OAI: oai:DiVA.org:uu-121091DiVA: diva2:304532
Available from: 2010-03-18 Created: 2010-03-18 Last updated: 2014-01-08Bibliographically approved
In thesis
1. Molecular Arrangement, Electronic Structure and Transport Properties in Surfactant Gel- and Related Systems Studied by Soft X-ray and Dielectric Spectroscopy
Open this publication in new window or tab >>Molecular Arrangement, Electronic Structure and Transport Properties in Surfactant Gel- and Related Systems Studied by Soft X-ray and Dielectric Spectroscopy
2013 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

This thesis concerns studies of aqueous soft matter systems, especially surfactant micelle systems.

The aim has been to study the molecular arrangement and electronic structure of the constituents of, as well as transport properties in such a system. The molecular arrangement and electronic structure has been studied by means of X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray spectroscopy (RIXS). The transport properties have been investigated by low-frequency dielectric spectroscopy (LFDS) and small angle X-ray scattering (SAXS) as well as a theoretical modelling. The latter was based on Fick’s laws of the release from binary surfactant system and was validated by experiments.

The RIXS and XAS measurements show the electronic structure in bulk water and the influence of the chemical surrounding of the water molecule in bulk water and of the water molecules confined in a micelle lattice. The spectra are highly dependent on the molecular arrangement in such systems. For glycine and sodium polyacrylate RIXS and XAS spectra show features which are unique for carboxyl and carboxylate groups and such measurements can thus be used for fingerprinting.

The LFDS and SAXS measurements show a strong correlation between structure in a surfactant/poly-ion system and apparent mobility of surfactants. This conclusion is in line with earlier observations.

By the theoretical modelling a predictive model for the surfactant release from a binary surfactant micelle system has been obtained and the importance of different factors for surfactant release has been further clarified.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2013. 77 p.
Series
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 1060
Keyword
surfactants, surfactant/poly-ion gel, water, confined water, XAS, RIXS, dielectric spectroscopy, SAXS, pKa, transport, Fick’s law
National Category
Nano Technology
Research subject
Engineering Science with specialization in Nanotechnology and Functional Materials
Identifiers
urn:nbn:se:uu:diva-205072 (URN)978-91-554-8721-8 (ISBN)
Public defence
2013-09-27, Häggsalen, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala, 09:30 (Swedish)
Opponent
Supervisors
Available from: 2013-09-04 Created: 2013-08-13 Last updated: 2014-01-08

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Andersson, EgilHennies, Franz

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