The Structure of p-Aminobenzoic Acid in Water: Studies Combining UV-Vis, NEXAFS and RIXS Spectroscopies

A. Gainar, J. S. Stevens, E. Suljoti, J. Xiao, R. Golnak, E. F. Aziz, S. L.M. Schroeder

Research output: Contribution to journalConference articlepeer-review

7 Scopus citations

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.

Original languageEnglish
Article number012034
JournalJournal of Physics: Conference Series
Volume712
Issue number1
DOIs
StatePublished - 2016
Externally publishedYes
Event16th International Conference on X-Ray Absorption Fine Structure, XAFS 2015 - Karlsruhe, Germany
Duration: 23 Aug 201528 Aug 2015

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