| Title: |
The Structure of p-Aminobenzoic Acid in Water: Studies Combining UV-Vis, NEXAFS and RIXS Spectroscopies |
| Authors: |
Gainar, A; Stevens, JS; Suljoti, E; Xiao, J; Golnak, R; Aziz, EF; Schroeder, SLM |
| Source: |
16th International Conference on X-ray Absorption Fine Structure (XAFS16) |
| Publisher Information: |
Conference Series |
| Publication Year: |
2015 |
| Collection: |
Imperial College London: Spiral |
| Subject Terms: |
02 Physical Sciences; 09 Engineering |
| Subject Geographic: |
Karlsruhe; Germany |
| Description: |
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. |
| Document Type: |
conference object |
| Language: |
unknown |
| Relation: |
Journal of Physics: Conference Series; http://hdl.handle.net/10044/1/42528 |
| DOI: |
10.1088/1742-6596/712/1/012034 |
| Availability: |
http://hdl.handle.net/10044/1/42528; https://doi.org/10.1088/1742-6596/712/1/012034 |
| Rights: |
© 2016 The Authors. Content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI. |
| Accession Number: |
edsbas.7C3F0066 |
| Database: |
BASE |