dc.contributor.author
Gainar, A.
dc.contributor.author
Stevens, J. S.
dc.contributor.author
Suljoti, E.
dc.contributor.author
Xiao, J.
dc.contributor.author
Golnak, R.
dc.contributor.author
Aziz, Emad F.
dc.contributor.author
Schroeder, S. L. M.
dc.date.accessioned
2018-06-08T11:11:19Z
dc.date.available
2017-02-28T12:19:32.904Z
dc.identifier.uri
https://refubium.fu-berlin.de/handle/fub188/21778
dc.identifier.uri
http://dx.doi.org/10.17169/refubium-25066
dc.description.abstract
NEXAFS-RIXS and home laboratory-based UV-Vis absorption spectroscopy are
combined to examine the speciation and electronic structure of para-
aminobenzoic acid (PABA) in aqueous solution as a function of pH. DFT and TD-
DFT electronic structure calculations reproduce the experimental trends and
provide a correlation between the experimental HOMO↔LUMO gap as well as the
electronic transitions between molecular orbitals in the non-ionic, anionic
and cationic forms of PABA.
en
dc.format.extent
4 Seiten
dc.rights.uri
http://creativecommons.org/licenses/by/3.0/
dc.subject.ddc
500 Naturwissenschaften und Mathematik::530 Physik
dc.title
The Structure of p-Aminobenzoic Acid in Water
dc.type
Wissenschaftlicher Artikel
dcterms.bibliographicCitation
Journal of Physics: Conference Series. - 712 (2016), Artikel Nr. 012034
dc.identifier.sepid
55375
dc.title.subtitle
Studies Combining UV-Vis, NEXAFS and RIXS Spectroscopies
dcterms.bibliographicCitation.doi
10.1088/1742-6596/712/1/012034
dcterms.bibliographicCitation.url
http://dx.doi.org/10.1088/1742-6596/712/1/012034
refubium.affiliation
Physik
de
refubium.affiliation.other
Institut für Experimentalphysik
refubium.mycore.fudocsId
FUDOCS_document_000000026475
refubium.note.author
Der Artikel wurde in einer reinen Open-Access-Zeitschrift publiziert.
refubium.resourceType.isindependentpub
no
refubium.mycore.derivateId
FUDOCS_derivate_000000007792
dcterms.accessRights.openaire
open access
dcterms.isPartOf.issn
1742-6588
